9-N,10-N-bis(4-naphthalen-2-ylphenyl)-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(3,5-dimethylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis[4-(4-phenylphenyl)phenyl]anthracene-9,10-diamine

C202H152N6 — CID 157415217

IUPAC9-N,10-N-bis(4-naphthalen-2-ylphenyl)-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(3,5-dimethylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis[4-(4-phenylphenyl)phenyl]anthracene-9,10-diamine
SMILESCc1cc(C)cc(N(c2cc(C)cc(C)c2)c2c3ccccc3c(N(c3cc(C)cc(C)c3)c3cc(C)cc(C)c3)c3ccccc23)c1.c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4c5ccccc5c(N(c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)c5ccccc45)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3c4ccccc4c(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc6ccccc6c5)cc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C86H60N2.C70H48N2.C46H44N2/c1-5-17-61(18-6-1)65-29-37-69(38-30-65)73-45-53-77(54-46-73)87(78-55-47-74(48-56-78)70-39-31-66(32-40-70)62-19-7-2-8-20-62)85-81-25-13-15-27-83(81)86(84-28-16-14-26-82(84)85)88(79-57-49-75(50-58-79)71-41-33-67(34-42-71)63-21-9-3-10-22-63)80-59-51-76(52-60-80)72-43-35-68(36-44-72)64-23-11-4-12-24-64;1-3-15-49(16-4-1)53-31-39-61(40-32-53)71(63-43-35-55(36-44-63)59-29-27-51-19-7-9-21-57(51)47-59)69-65-23-11-13-25-67(65)70(68-26-14-12-24-66(68)69)72(62-41-33-54(34-42-62)50-17-5-2-6-18-50)64-45-37-56(38-46-64)60-30-28-52-20-8-10-22-58(52)48-60;1-29-17-30(2)22-37(21-29)47(38-23-31(3)18-32(4)24-38)45-41-13-9-11-15-43(41)46(44-16-12-10-14-42(44)45)48(39-25-33(5)19-34(6)26-39)40-27-35(7)20-36(8)28-40/h1-60H;1-48H;9-28H,1-8H3
InChIKeyBOTMAAHZWVCTTD-UHFFFAOYSA-N
MW2663.48 g/mol
LogP57.58
Rot. Bonds30

About 9-N,10-N-bis(4-naphthalen-2-ylphenyl)-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(3,5-dimethylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis[4-(4-phenylphenyl)phenyl]anthracene-9,10-diamine

9-N,10-N-bis(4-naphthalen-2-ylphenyl)-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(3,5-dimethylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis[4-(4-phenylphenyl)phenyl]anthracene-9,10-diamine (PubChem CID 157415217) has the molecular formula C202H152N6 and a molecular weight of 2663.48 g/mol. Its IUPAC name is 9-N,10-N-bis(4-naphthalen-2-ylphenyl)-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(3,5-dimethylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis[4-(4-phenylphenyl)phenyl]anthracene-9,10-diamine.

Molecular Properties

Compound Name9-N,10-N-bis(4-naphthalen-2-ylphenyl)-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(3,5-dimethylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis[4-(4-phenylphenyl)phenyl]anthracene-9,10-diamine
PubChem CID157415217
Molecular FormulaC202H152N6
Molecular Weight2663.48 g/mol
Exact Mass2661.21
IUPAC Name9-N,10-N-bis(4-naphthalen-2-ylphenyl)-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(3,5-dimethylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis[4-(4-phenylphenyl)phenyl]anthracene-9,10-diamine
SMILESCc1cc(C)cc(N(c2cc(C)cc(C)c2)c2c3ccccc3c(N(c3cc(C)cc(C)c3)c3cc(C)cc(C)c3)c3ccccc23)c1.c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4c5ccccc5c(N(c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)c5ccccc45)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3c4ccccc4c(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc6ccccc6c5)cc4)c4ccccc34)cc2)cc1
InChIInChI=1S/C86H60N2.C70H48N2.C46H44N2/c1-5-17-61(18-6-1)65-29-37-69(38-30-65)73-45-53-77(54-46-73)87(78-55-47-74(48-56-78)70-39-31-66(32-40-70)62-19-7-2-8-20-62)85-81-25-13-15-27-83(81)86(84-28-16-14-26-82(84)85)88(79-57-49-75(50-58-79)71-41-33-67(34-42-71)63-21-9-3-10-22-63)80-59-51-76(52-60-80)72-43-35-68(36-44-72)64-23-11-4-12-24-64;1-3-15-49(16-4-1)53-31-39-61(40-32-53)71(63-43-35-55(36-44-63)59-29-27-51-19-7-9-21-57(51)47-59)69-65-23-11-13-25-67(65)70(68-26-14-12-24-66(68)69)72(62-41-33-54(34-42-62)50-17-5-2-6-18-50)64-45-37-56(38-46-64)60-30-28-52-20-8-10-22-58(52)48-60;1-29-17-30(2)22-37(21-29)47(38-23-31(3)18-32(4)24-38)45-41-13-9-11-15-43(41)46(44-16-12-10-14-42(44)45)48(39-25-33(5)19-34(6)26-39)40-27-35(7)20-36(8)28-40/h1-60H;1-48H;9-28H,1-8H3
InChIKeyBOTMAAHZWVCTTD-UHFFFAOYSA-N
XLogP57.58
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds30
Heavy Atoms208
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002663.48
LogP ≤ 557.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diaminobenzene_3', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 9-N,10-N-bis(4-naphthalen-2-ylphenyl)-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(3,5-dimethylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis[4-(4-phenylphenyl)phenyl]anthracene-9,10-diamine with MolForge

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Related Compounds

10-methyl-N-naphthalen-2-yl-N-(4-phenylphenyl)anthracen-9-amine
CID 143494684
N-[4-(4-methylphenyl)phenyl]-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 145442294
5-methyl-1-N,3-N-bis(4-phenylphenyl)-1-N,3-N-bis(2,4,6-trimethylphenyl)benzene-1,3-diamine
CID 118415243
4-N,4-N-bis(3,5-dimethylphenyl)-1-N-[4-(N-(3,5-dimethylphenyl)-3,5-dimethylanilino)phenyl]-1-N-(4-phenylphenyl)benzene-1,4-diamine
CID 22964147
N-(3,5-dimethylphenyl)-N,16-diphenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166031874
10-naphthalen-2-yl-N-phenyl-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenanthren-9-amine
CID 155304970
N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaen-4-amine
CID 167411387
4-N,4-N-dinaphthalen-2-yl-1-N,1-N-bis(4-phenylphenyl)benzene-1,4-diamine;9-N,9-N-diphenyl-10-N,10-N-bis(4-propan-2-ylphenyl)anthracene-9,10-diamine
CID 159721298
5-naphthalen-2-yl-1-N,1-N,3-N,3-N-tetrakis(4-phenylphenyl)benzene-1,3-diamine
CID 146664121
N-(4-chrysen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-phenylaniline
CID 170675871
4-methyl-N-(4-phenanthren-3-ylphenyl)-N-(4-phenylphenyl)aniline
CID 118122906
9-N,10-N-diphenyl-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine
CID 59133440

Frequently Asked Questions

What is the IUPAC name of 9-N,10-N-bis(4-naphthalen-2-ylphenyl)-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(3,5-dimethylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis[4-(4-phenylphenyl)phenyl]anthracene-9,10-diamine?
The IUPAC name of 9-N,10-N-bis(4-naphthalen-2-ylphenyl)-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(3,5-dimethylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis[4-(4-phenylphenyl)phenyl]anthracene-9,10-diamine (CID 157415217) is 9-N,10-N-bis(4-naphthalen-2-ylphenyl)-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(3,5-dimethylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis[4-(4-phenylphenyl)phenyl]anthracene-9,10-diamine.
What is the SMILES notation for 9-N,10-N-bis(4-naphthalen-2-ylphenyl)-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(3,5-dimethylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis[4-(4-phenylphenyl)phenyl]anthracene-9,10-diamine?
The canonical SMILES for 9-N,10-N-bis(4-naphthalen-2-ylphenyl)-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(3,5-dimethylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis[4-(4-phenylphenyl)phenyl]anthracene-9,10-diamine is Cc1cc(C)cc(N(c2cc(C)cc(C)c2)c2c3ccccc3c(N(c3cc(C)cc(C)c3)c3cc(C)cc(C)c3)c3ccccc23)c1.c1ccc(-c2ccc(-c3ccc(N(c4ccc(-c5ccc(-c6ccccc6)cc5)cc4)c4c5ccccc5c(N(c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)c5ccc(-c6ccc(-c7ccccc7)cc6)cc5)c5ccccc45)cc3)cc2)cc1.c1ccc(-c2ccc(N(c3ccc(-c4ccc5ccccc5c4)cc3)c3c4ccccc4c(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc6ccccc6c5)cc4)c4ccccc34)cc2)cc1.
What is the InChIKey of 9-N,10-N-bis(4-naphthalen-2-ylphenyl)-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(3,5-dimethylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis[4-(4-phenylphenyl)phenyl]anthracene-9,10-diamine?
The InChIKey is BOTMAAHZWVCTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H60N2.C70H48N2.C46H44N2/c1-5-17-61(18-6-1)65-29-37-69(38-30-65)73-45-53-77(54-46-73)87(78-55-47-74(48-56-78)70-39-31-66(32-40-70)62-19-7-2-8-20-62)85-81-25-13-15-27-83(81)86(84-28-16-14-26-82(84)85)88(79-57-49-75(50-58-79)71-41-33-67(34-42-71)63-21-9-3-10-22-63)80-59-51-76(52-60-80)72-43-35-68(36-44-72)64-23-11-4-12-24-64;1-3-15-49(16-4-1)53-31-39-61(40-32-53)71(63-43-35-55(36-44-63)59-29-27-51-19-7-9-21-57(51)47-59)69-65-23-11-13-25-67(65)70(68-26-14-12-24-66(68)69)72(62-41-33-54(34-42-62)50-17-5-2-6-18-50)64-45-37-56(38-46-64)60-30-28-52-20-8-10-22-58(52)48-60;1-29-17-30(2)22-37(21-29)47(38-23-31(3)18-32(4)24-38)45-41-13-9-11-15-43(41)46(44-16-12-10-14-42(44)45)48(39-25-33(5)19-34(6)26-39)40-27-35(7)20-36(8)28-40/h1-60H;1-48H;9-28H,1-8H3.
What are the key properties of 9-N,10-N-bis(4-naphthalen-2-ylphenyl)-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(3,5-dimethylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis[4-(4-phenylphenyl)phenyl]anthracene-9,10-diamine?
9-N,10-N-bis(4-naphthalen-2-ylphenyl)-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(3,5-dimethylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis[4-(4-phenylphenyl)phenyl]anthracene-9,10-diamine has a molecular weight of 2663.48 g/mol, XLogP of 57.58, 30 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-N,10-N-bis(4-naphthalen-2-ylphenyl)-9-N,10-N-bis(4-phenylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis(3,5-dimethylphenyl)anthracene-9,10-diamine;9-N,9-N,10-N,10-N-tetrakis[4-(4-phenylphenyl)phenyl]anthracene-9,10-diamine is sourced from PubChem (CID 157415217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).