7-tert-butyl-3-N,9-N-bis(3-methylphenyl)-3-N,9-N-bis(4-propan-2-ylphenyl)phenanthrene-3,9-diamine;3-N,9-N-dinaphthalen-2-yl-3-N,9-N-diphenylphenanthrene-3,9-diamine;3-N,9-N-diphenyl-3-N,9-N-bis(4-phenylphenyl)phenanthrene-3,9-diamine;3-N,3-N,9-N,9-N-tetrakis(3,4-dimethylphenyl)phenanthrene-3,9-diamine

C192H164N8 — CID 160570931

IUPAC7-tert-butyl-3-N,9-N-bis(3-methylphenyl)-3-N,9-N-bis(4-propan-2-ylphenyl)phenanthrene-3,9-diamine;3-N,9-N-dinaphthalen-2-yl-3-N,9-N-diphenylphenanthrene-3,9-diamine;3-N,9-N-diphenyl-3-N,9-N-bis(4-phenylphenyl)phenanthrene-3,9-diamine;3-N,3-N,9-N,9-N-tetrakis(3,4-dimethylphenyl)phenanthrene-3,9-diamine
SMILESCc1ccc(N(c2ccc(C)c(C)c2)c2ccc3cc(N(c4ccc(C)c(C)c4)c4ccc(C)c(C)c4)c4ccccc4c3c2)cc1C.Cc1cccc(N(c2ccc(C(C)C)cc2)c2ccc3cc(N(c4ccc(C(C)C)cc4)c4cccc(C)c4)c4cc(C(C)(C)C)ccc4c3c2)c1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4cc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)c5ccccc5c4c3)cc2)cc1.c1ccc(N(c2ccc3ccccc3c2)c2ccc3cc(N(c4ccccc4)c4ccc5ccccc5c4)c4ccccc4c3c2)cc1
InChIInChI=1S/C50H36N2.C50H52N2.C46H32N2.C46H44N2/c1-5-15-37(16-6-1)39-25-30-44(31-26-39)51(42-19-9-3-10-20-42)46-34-29-41-35-50(48-24-14-13-23-47(48)49(41)36-46)52(43-21-11-4-12-22-43)45-32-27-40(28-33-45)38-17-7-2-8-18-38;1-33(2)37-16-22-41(23-17-37)51(43-14-10-12-35(5)28-43)45-26-20-39-30-49(48-31-40(50(7,8)9)21-27-46(48)47(39)32-45)52(44-15-11-13-36(6)29-44)42-24-18-38(19-25-42)34(3)4;1-3-17-38(18-4-1)47(40-26-23-33-13-7-9-15-35(33)29-40)42-28-25-37-31-46(44-22-12-11-21-43(44)45(37)32-42)48(39-19-5-2-6-20-39)41-27-24-34-14-8-10-16-36(34)30-41;1-29-13-18-38(23-33(29)5)47(39-19-14-30(2)34(6)24-39)42-22-17-37-27-46(44-12-10-9-11-43(44)45(37)28-42)48(40-20-15-31(3)35(7)25-40)41-21-16-32(4)36(8)26-41/h1-36H;10-34H,1-9H3;1-32H;9-28H,1-8H3
InChIKeyRANQUJPJFRUKRF-UHFFFAOYSA-N
MW2583.48 g/mol
LogP56.00
Rot. Bonds28

About 7-tert-butyl-3-N,9-N-bis(3-methylphenyl)-3-N,9-N-bis(4-propan-2-ylphenyl)phenanthrene-3,9-diamine;3-N,9-N-dinaphthalen-2-yl-3-N,9-N-diphenylphenanthrene-3,9-diamine;3-N,9-N-diphenyl-3-N,9-N-bis(4-phenylphenyl)phenanthrene-3,9-diamine;3-N,3-N,9-N,9-N-tetrakis(3,4-dimethylphenyl)phenanthrene-3,9-diamine

7-tert-butyl-3-N,9-N-bis(3-methylphenyl)-3-N,9-N-bis(4-propan-2-ylphenyl)phenanthrene-3,9-diamine;3-N,9-N-dinaphthalen-2-yl-3-N,9-N-diphenylphenanthrene-3,9-diamine;3-N,9-N-diphenyl-3-N,9-N-bis(4-phenylphenyl)phenanthrene-3,9-diamine;3-N,3-N,9-N,9-N-tetrakis(3,4-dimethylphenyl)phenanthrene-3,9-diamine (PubChem CID 160570931) has the molecular formula C192H164N8 and a molecular weight of 2583.48 g/mol. Its IUPAC name is 7-tert-butyl-3-N,9-N-bis(3-methylphenyl)-3-N,9-N-bis(4-propan-2-ylphenyl)phenanthrene-3,9-diamine;3-N,9-N-dinaphthalen-2-yl-3-N,9-N-diphenylphenanthrene-3,9-diamine;3-N,9-N-diphenyl-3-N,9-N-bis(4-phenylphenyl)phenanthrene-3,9-diamine;3-N,3-N,9-N,9-N-tetrakis(3,4-dimethylphenyl)phenanthrene-3,9-diamine.

Molecular Properties

Compound Name7-tert-butyl-3-N,9-N-bis(3-methylphenyl)-3-N,9-N-bis(4-propan-2-ylphenyl)phenanthrene-3,9-diamine;3-N,9-N-dinaphthalen-2-yl-3-N,9-N-diphenylphenanthrene-3,9-diamine;3-N,9-N-diphenyl-3-N,9-N-bis(4-phenylphenyl)phenanthrene-3,9-diamine;3-N,3-N,9-N,9-N-tetrakis(3,4-dimethylphenyl)phenanthrene-3,9-diamine
PubChem CID160570931
Molecular FormulaC192H164N8
Molecular Weight2583.48 g/mol
Exact Mass2581.31
IUPAC Name7-tert-butyl-3-N,9-N-bis(3-methylphenyl)-3-N,9-N-bis(4-propan-2-ylphenyl)phenanthrene-3,9-diamine;3-N,9-N-dinaphthalen-2-yl-3-N,9-N-diphenylphenanthrene-3,9-diamine;3-N,9-N-diphenyl-3-N,9-N-bis(4-phenylphenyl)phenanthrene-3,9-diamine;3-N,3-N,9-N,9-N-tetrakis(3,4-dimethylphenyl)phenanthrene-3,9-diamine
SMILESCc1ccc(N(c2ccc(C)c(C)c2)c2ccc3cc(N(c4ccc(C)c(C)c4)c4ccc(C)c(C)c4)c4ccccc4c3c2)cc1C.Cc1cccc(N(c2ccc(C(C)C)cc2)c2ccc3cc(N(c4ccc(C(C)C)cc4)c4cccc(C)c4)c4cc(C(C)(C)C)ccc4c3c2)c1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4cc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)c5ccccc5c4c3)cc2)cc1.c1ccc(N(c2ccc3ccccc3c2)c2ccc3cc(N(c4ccccc4)c4ccc5ccccc5c4)c4ccccc4c3c2)cc1
InChIInChI=1S/C50H36N2.C50H52N2.C46H32N2.C46H44N2/c1-5-15-37(16-6-1)39-25-30-44(31-26-39)51(42-19-9-3-10-20-42)46-34-29-41-35-50(48-24-14-13-23-47(48)49(41)36-46)52(43-21-11-4-12-22-43)45-32-27-40(28-33-45)38-17-7-2-8-18-38;1-33(2)37-16-22-41(23-17-37)51(43-14-10-12-35(5)28-43)45-26-20-39-30-49(48-31-40(50(7,8)9)21-27-46(48)47(39)32-45)52(44-15-11-13-36(6)29-44)42-24-18-38(19-25-42)34(3)4;1-3-17-38(18-4-1)47(40-26-23-33-13-7-9-15-35(33)29-40)42-28-25-37-31-46(44-22-12-11-21-43(44)45(37)32-42)48(39-19-5-2-6-20-39)41-27-24-34-14-8-10-16-36(34)30-41;1-29-13-18-38(23-33(29)5)47(39-19-14-30(2)34(6)24-39)42-22-17-37-27-46(44-12-10-9-11-43(44)45(37)28-42)48(40-20-15-31(3)35(7)25-40)41-21-16-32(4)36(8)26-41/h1-36H;10-34H,1-9H3;1-32H;9-28H,1-8H3
InChIKeyRANQUJPJFRUKRF-UHFFFAOYSA-N
XLogP56.00
TPSA25.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds28
Heavy Atoms200
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002583.48
LogP ≤ 556.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 7-tert-butyl-3-N,9-N-bis(3-methylphenyl)-3-N,9-N-bis(4-propan-2-ylphenyl)phenanthrene-3,9-diamine;3-N,9-N-dinaphthalen-2-yl-3-N,9-N-diphenylphenanthrene-3,9-diamine;3-N,9-N-diphenyl-3-N,9-N-bis(4-phenylphenyl)phenanthrene-3,9-diamine;3-N,3-N,9-N,9-N-tetrakis(3,4-dimethylphenyl)phenanthrene-3,9-diamine with MolForge

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Related Compounds

2-tert-butyl-6-N,12-N-diphenyl-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;2-tert-butyl-6-N,12-N-diphenyl-6-N,12-N-bis(5,6,7,8-tetrahydronaphthalen-2-yl)chrysene-6,12-diamine;2-methyl-6-N,12-N-bis(3-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-2,8-di(propan-2-yl)chrysene-6,12-diamine
CID 158150656
12,27-ditert-butyl-7-N,22-N-bis(4-methylphenyl)-7-N,22-N-dinaphthalen-2-ylheptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1,3(16),4(9),5,7,10(15),11,13,17,19(24),20,22,25(30),26,28-pentadecaene-7,22-diamine;7-N,22-N-dinaphthalen-2-yl-7-N,22-N-bis(4-phenylphenyl)heptacyclo[16.12.0.03,16.04,9.010,15.019,24.025,30]triaconta-1(18),2,4(9),5,7,10,12,14,16,19(24),20,22,25,27,29-pentadecaene-7,22-diamine
CID 160957553
6-N,12-N-bis(3,5-ditert-butylphenyl)-6-N,12-N-bis(3,4,5-trimethylphenyl)chrysene-6,12-diamine;6-N,12-N-bis(3,4-dimethylphenyl)-6-N,12-N-bis[3,5-di(propan-2-yl)phenyl]chrysene-6,12-diamine;6-N,12-N-bis(3,5-dimethylphenyl)-6-N,12-N-bis[3,5-di(propan-2-yl)phenyl]chrysene-6,12-diamine;2,3-dimethyl-6-N,12-N-dinaphthalen-2-yl-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,5-ditert-butylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetrakis(3,4-dimethylphenyl)-2,8-di(propan-2-yl)chrysene-6,12-diamine
CID 162086038
6-N,12-N-bis(2,4-dimethylphenyl)-6-N,12-N-bis[2-methyl-4-(4-phenylphenyl)phenyl]chrysene-6,12-diamine;6-N,12-N-bis(4-phenylphenyl)-6-N,12-N-bis(4-propan-2-ylphenyl)chrysene-6,12-diamine;3-tert-butyl-6-N,12-N-bis(4-tert-butylphenyl)-6-N,12-N-bis(4-phenylphenyl)chrysene-6,12-diamine
CID 160624932
6-N,12-N-bis(3-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-bis(4-methylphenyl)-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-dinaphthalen-2-yl-6-N,12-N-diphenylchrysene-6,12-diamine;6-N,12-N-diphenyl-6-N,12-N-bis(3-phenylphenyl)chrysene-6,12-diamine;6-N,6-N,12-N,12-N-tetraphenylchrysene-6,12-diamine
CID 158234025
1-N-[4-[4-(N-[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]anilino)phenyl]phenyl]-4-N,4-N-bis(3-methylphenyl)-1-N-phenylbenzene-1,4-diamine;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;4-N-naphthalen-2-yl-1-N,1-N-bis[4-(N-naphthalen-2-ylanilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 160638191
N-[4-[4-[4-(3-methyl-N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-(3-methylphenyl)naphthalen-2-amine;N-[4-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-[4-[4-[4-(N-naphthalen-1-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-1-amine;N-[4-[4-[4-(N-naphthalen-2-yl-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 157153333
4-N-naphthalen-1-yl-1-N-naphthalen-2-yl-4-N-[4-[4-[N-naphthalen-1-yl-4-(N-naphthalen-2-ylanilino)anilino]phenyl]phenyl]-1-N-phenylbenzene-1,4-diamine;4-N-naphthalen-2-yl-1-N-[4-[4-[4-[naphthalen-2-yl(phenanthren-9-yl)amino]-N-phenanthren-9-ylanilino]phenyl]phenyl]-1-N,4-N-di(phenanthren-9-yl)benzene-1,4-diamine;1-N-naphthalen-1-yl-1-N-[4-[4-[N-naphthalen-1-yl-4-(N-phenanthren-9-ylanilino)anilino]phenyl]phenyl]-4-N-phenanthren-9-yl-4-N-phenylbenzene-1,4-diamine
CID 160725263
2,6-ditert-butyl-9-N,10-N-bis(3,4-dimethylphenyl)-9-N,10-N-bis(3-methylphenyl)anthracene-9,10-diamine;2,6-ditert-butyl-9-N,10-N-bis(4-hexylphenyl)-9-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine;2,6-ditert-butyl-9-N,9-N,10-N,10-N-tetranaphthalen-2-ylanthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(3-methylphenyl)-2,6-di(propan-2-yl)anthracene-9,10-diamine
CID 159808726
3-methyl-N-[4-[4-(N-(3-methylphenyl)-4-propan-2-ylanilino)phenyl]phenyl]-N-phenylaniline
CID 121295792
N-tert-butyl-3,4-dimethyl-N-phenylaniline;N-tert-butyl-N-(3,4-dimethylphenyl)-3,4-dimethylaniline;N-tert-butyl-3-methyl-N-(3-methylphenyl)aniline;N-tert-butyl-N-(3-methylphenyl)naphthalen-2-amine;N-tert-butyl-3-methyl-N-(4-phenylphenyl)aniline;1-tert-butylnaphthalene;2-tert-butylnaphthalene;N-tert-butyl-N-phenylaniline;N-tert-butyl-N-phenylnaphthalen-1-amine;N-tert-butyl-N-phenylnaphthalen-2-amine;N-tert-butyl-N-(4-propan-2-ylphenyl)dibenzofuran-4-amine;N-tert-butyl-4-propan-2-yl-N-(4-propan-2-ylphenyl)aniline
CID 158399119
N-[6-[4-(N-[4-[6-(N-phenanthren-9-ylanilino)naphthalen-2-yl]phenyl]anilino)phenyl]naphthalen-2-yl]-N-phenylphenanthren-9-amine
CID 59690812

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-3-N,9-N-bis(3-methylphenyl)-3-N,9-N-bis(4-propan-2-ylphenyl)phenanthrene-3,9-diamine;3-N,9-N-dinaphthalen-2-yl-3-N,9-N-diphenylphenanthrene-3,9-diamine;3-N,9-N-diphenyl-3-N,9-N-bis(4-phenylphenyl)phenanthrene-3,9-diamine;3-N,3-N,9-N,9-N-tetrakis(3,4-dimethylphenyl)phenanthrene-3,9-diamine?
The IUPAC name of 7-tert-butyl-3-N,9-N-bis(3-methylphenyl)-3-N,9-N-bis(4-propan-2-ylphenyl)phenanthrene-3,9-diamine;3-N,9-N-dinaphthalen-2-yl-3-N,9-N-diphenylphenanthrene-3,9-diamine;3-N,9-N-diphenyl-3-N,9-N-bis(4-phenylphenyl)phenanthrene-3,9-diamine;3-N,3-N,9-N,9-N-tetrakis(3,4-dimethylphenyl)phenanthrene-3,9-diamine (CID 160570931) is 7-tert-butyl-3-N,9-N-bis(3-methylphenyl)-3-N,9-N-bis(4-propan-2-ylphenyl)phenanthrene-3,9-diamine;3-N,9-N-dinaphthalen-2-yl-3-N,9-N-diphenylphenanthrene-3,9-diamine;3-N,9-N-diphenyl-3-N,9-N-bis(4-phenylphenyl)phenanthrene-3,9-diamine;3-N,3-N,9-N,9-N-tetrakis(3,4-dimethylphenyl)phenanthrene-3,9-diamine.
What is the SMILES notation for 7-tert-butyl-3-N,9-N-bis(3-methylphenyl)-3-N,9-N-bis(4-propan-2-ylphenyl)phenanthrene-3,9-diamine;3-N,9-N-dinaphthalen-2-yl-3-N,9-N-diphenylphenanthrene-3,9-diamine;3-N,9-N-diphenyl-3-N,9-N-bis(4-phenylphenyl)phenanthrene-3,9-diamine;3-N,3-N,9-N,9-N-tetrakis(3,4-dimethylphenyl)phenanthrene-3,9-diamine?
The canonical SMILES for 7-tert-butyl-3-N,9-N-bis(3-methylphenyl)-3-N,9-N-bis(4-propan-2-ylphenyl)phenanthrene-3,9-diamine;3-N,9-N-dinaphthalen-2-yl-3-N,9-N-diphenylphenanthrene-3,9-diamine;3-N,9-N-diphenyl-3-N,9-N-bis(4-phenylphenyl)phenanthrene-3,9-diamine;3-N,3-N,9-N,9-N-tetrakis(3,4-dimethylphenyl)phenanthrene-3,9-diamine is Cc1ccc(N(c2ccc(C)c(C)c2)c2ccc3cc(N(c4ccc(C)c(C)c4)c4ccc(C)c(C)c4)c4ccccc4c3c2)cc1C.Cc1cccc(N(c2ccc(C(C)C)cc2)c2ccc3cc(N(c4ccc(C(C)C)cc4)c4cccc(C)c4)c4cc(C(C)(C)C)ccc4c3c2)c1.c1ccc(-c2ccc(N(c3ccccc3)c3ccc4cc(N(c5ccccc5)c5ccc(-c6ccccc6)cc5)c5ccccc5c4c3)cc2)cc1.c1ccc(N(c2ccc3ccccc3c2)c2ccc3cc(N(c4ccccc4)c4ccc5ccccc5c4)c4ccccc4c3c2)cc1.
What is the InChIKey of 7-tert-butyl-3-N,9-N-bis(3-methylphenyl)-3-N,9-N-bis(4-propan-2-ylphenyl)phenanthrene-3,9-diamine;3-N,9-N-dinaphthalen-2-yl-3-N,9-N-diphenylphenanthrene-3,9-diamine;3-N,9-N-diphenyl-3-N,9-N-bis(4-phenylphenyl)phenanthrene-3,9-diamine;3-N,3-N,9-N,9-N-tetrakis(3,4-dimethylphenyl)phenanthrene-3,9-diamine?
The InChIKey is RANQUJPJFRUKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36N2.C50H52N2.C46H32N2.C46H44N2/c1-5-15-37(16-6-1)39-25-30-44(31-26-39)51(42-19-9-3-10-20-42)46-34-29-41-35-50(48-24-14-13-23-47(48)49(41)36-46)52(43-21-11-4-12-22-43)45-32-27-40(28-33-45)38-17-7-2-8-18-38;1-33(2)37-16-22-41(23-17-37)51(43-14-10-12-35(5)28-43)45-26-20-39-30-49(48-31-40(50(7,8)9)21-27-46(48)47(39)32-45)52(44-15-11-13-36(6)29-44)42-24-18-38(19-25-42)34(3)4;1-3-17-38(18-4-1)47(40-26-23-33-13-7-9-15-35(33)29-40)42-28-25-37-31-46(44-22-12-11-21-43(44)45(37)32-42)48(39-19-5-2-6-20-39)41-27-24-34-14-8-10-16-36(34)30-41;1-29-13-18-38(23-33(29)5)47(39-19-14-30(2)34(6)24-39)42-22-17-37-27-46(44-12-10-9-11-43(44)45(37)28-42)48(40-20-15-31(3)35(7)25-40)41-21-16-32(4)36(8)26-41/h1-36H;10-34H,1-9H3;1-32H;9-28H,1-8H3.
What are the key properties of 7-tert-butyl-3-N,9-N-bis(3-methylphenyl)-3-N,9-N-bis(4-propan-2-ylphenyl)phenanthrene-3,9-diamine;3-N,9-N-dinaphthalen-2-yl-3-N,9-N-diphenylphenanthrene-3,9-diamine;3-N,9-N-diphenyl-3-N,9-N-bis(4-phenylphenyl)phenanthrene-3,9-diamine;3-N,3-N,9-N,9-N-tetrakis(3,4-dimethylphenyl)phenanthrene-3,9-diamine?
7-tert-butyl-3-N,9-N-bis(3-methylphenyl)-3-N,9-N-bis(4-propan-2-ylphenyl)phenanthrene-3,9-diamine;3-N,9-N-dinaphthalen-2-yl-3-N,9-N-diphenylphenanthrene-3,9-diamine;3-N,9-N-diphenyl-3-N,9-N-bis(4-phenylphenyl)phenanthrene-3,9-diamine;3-N,3-N,9-N,9-N-tetrakis(3,4-dimethylphenyl)phenanthrene-3,9-diamine has a molecular weight of 2583.48 g/mol, XLogP of 56.00, 28 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-3-N,9-N-bis(3-methylphenyl)-3-N,9-N-bis(4-propan-2-ylphenyl)phenanthrene-3,9-diamine;3-N,9-N-dinaphthalen-2-yl-3-N,9-N-diphenylphenanthrene-3,9-diamine;3-N,9-N-diphenyl-3-N,9-N-bis(4-phenylphenyl)phenanthrene-3,9-diamine;3-N,3-N,9-N,9-N-tetrakis(3,4-dimethylphenyl)phenanthrene-3,9-diamine is sourced from PubChem (CID 160570931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).