15,15-dimethyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine;15,15-dimethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine

C118H89N5 — CID 159717494

IUPAC15,15-dimethyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine;15,15-dimethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine
SMILESCC1(C)c2cccc3ccc4cc(N(c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)cc1c4c23.CC1(C)c2cccc3ccc4cc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)cc1c4c23
InChIInChI=1S/C65H49N3.C53H40N2/c1-65(2)61-25-15-16-50-26-27-51-44-60(45-62(65)64(51)63(50)61)68(58-40-32-48(33-41-58)46-28-36-56(37-29-46)66(52-17-7-3-8-18-52)53-19-9-4-10-20-53)59-42-34-49(35-43-59)47-30-38-57(39-31-47)67(54-21-11-5-12-22-54)55-23-13-6-14-24-55;1-53(2)49-20-12-15-41-21-22-42-35-48(36-50(53)52(42)51(41)49)55(46-31-23-38(24-32-46)37-13-6-3-7-14-37)47-33-27-40(28-34-47)39-25-29-45(30-26-39)54(43-16-8-4-9-17-43)44-18-10-5-11-19-44/h3-45H,1-2H3;3-36H,1-2H3
InChIKeyMZPPHSOVNIOZIP-UHFFFAOYSA-N
MW1577.04 g/mol
LogP33.28
Rot. Bonds19

About 15,15-dimethyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine;15,15-dimethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine

15,15-dimethyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine;15,15-dimethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine (PubChem CID 159717494) has the molecular formula C118H89N5 and a molecular weight of 1577.04 g/mol. Its IUPAC name is 15,15-dimethyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine;15,15-dimethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine.

Molecular Properties

Compound Name15,15-dimethyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine;15,15-dimethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine
PubChem CID159717494
Molecular FormulaC118H89N5
Molecular Weight1577.04 g/mol
Exact Mass1575.71
IUPAC Name15,15-dimethyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine;15,15-dimethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine
SMILESCC1(C)c2cccc3ccc4cc(N(c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)cc1c4c23.CC1(C)c2cccc3ccc4cc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)cc1c4c23
InChIInChI=1S/C65H49N3.C53H40N2/c1-65(2)61-25-15-16-50-26-27-51-44-60(45-62(65)64(51)63(50)61)68(58-40-32-48(33-41-58)46-28-36-56(37-29-46)66(52-17-7-3-8-18-52)53-19-9-4-10-20-53)59-42-34-49(35-43-59)47-30-38-57(39-31-47)67(54-21-11-5-12-22-54)55-23-13-6-14-24-55;1-53(2)49-20-12-15-41-21-22-42-35-48(36-50(53)52(42)51(41)49)55(46-31-23-38(24-32-46)37-13-6-3-7-14-37)47-33-27-40(28-34-47)39-25-29-45(30-26-39)54(43-16-8-4-9-17-43)44-18-10-5-11-19-44/h3-45H,1-2H3;3-36H,1-2H3
InChIKeyMZPPHSOVNIOZIP-UHFFFAOYSA-N
XLogP33.28
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms123
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001577.04
LogP ≤ 533.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 15,15-dimethyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine;15,15-dimethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-15,15-dimethyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine
CID 129118409
N,N-bis(4-phenylphenyl)spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene]-3'-amine;spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]
CID 158405028
N-(9,9-dimethylfluoren-2-yl)-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 167412224
6,6,14,14-tetramethyl-N,N-diphenyl-9-pyren-2-yltetracyclo[9.2.1.05,13.07,12]tetradeca-1(13),2,4,7,9,11-hexaen-3-amine
CID 146699452
6-(N-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)anilino)pyren-1-ol
CID 118547556
N-(9,9-dimethylfluoren-2-yl)-15,15-dimethyl-N-[4-(4-trimethylsilylphenyl)phenyl]tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine
CID 90306203
6-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N-(2,3,4,5,6-pentadeuteriophenyl)-N-(4-phenylphenyl)naphthalen-2-amine
CID 121419327
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)spiro[tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-5-amine
CID 129085756
6-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)-N-(4-methylphenyl)-N-naphthalen-2-ylnaphthalen-2-amine
CID 121419333
N-[4-(9,9-dimethylfluoren-4-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphthalen-2-amine
CID 169020198
9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)-N-phenyl-N-(6-phenylnaphthalen-2-yl)fluoren-2-amine
CID 118500358
3-N,10-N-bis[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-3-N,10-N,15,15-tetraphenyltetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine;15,15-dimethyl-3-N,10-N-dinaphthalen-1-yl-3-N,10-N-bis[4-(N-phenylanilino)phenyl]tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine;3-N',3-N',10-N',10-N'-tetrakis(4-phenylphenyl)spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene]-3',10'-diamine;3-N,10-N,15,15-tetraphenyl-3-N,10-N-bis[4-(N-phenylanilino)phenyl]tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene-3,10-diamine
CID 159961914

Frequently Asked Questions

What is the IUPAC name of 15,15-dimethyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine;15,15-dimethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine?
The IUPAC name of 15,15-dimethyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine;15,15-dimethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine (CID 159717494) is 15,15-dimethyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine;15,15-dimethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine.
What is the SMILES notation for 15,15-dimethyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine;15,15-dimethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine?
The canonical SMILES for 15,15-dimethyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine;15,15-dimethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine is CC1(C)c2cccc3ccc4cc(N(c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)cc1c4c23.CC1(C)c2cccc3ccc4cc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccc(N(c7ccccc7)c7ccccc7)cc6)cc5)cc1c4c23.
What is the InChIKey of 15,15-dimethyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine;15,15-dimethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine?
The InChIKey is MZPPHSOVNIOZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H49N3.C53H40N2/c1-65(2)61-25-15-16-50-26-27-51-44-60(45-62(65)64(51)63(50)61)68(58-40-32-48(33-41-58)46-28-36-56(37-29-46)66(52-17-7-3-8-18-52)53-19-9-4-10-20-53)59-42-34-49(35-43-59)47-30-38-57(39-31-47)67(54-21-11-5-12-22-54)55-23-13-6-14-24-55;1-53(2)49-20-12-15-41-21-22-42-35-48(36-50(53)52(42)51(41)49)55(46-31-23-38(24-32-46)37-13-6-3-7-14-37)47-33-27-40(28-34-47)39-25-29-45(30-26-39)54(43-16-8-4-9-17-43)44-18-10-5-11-19-44/h3-45H,1-2H3;3-36H,1-2H3.
What are the key properties of 15,15-dimethyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine;15,15-dimethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine?
15,15-dimethyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine;15,15-dimethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine has a molecular weight of 1577.04 g/mol, XLogP of 33.28, 19 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 15,15-dimethyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine;15,15-dimethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine is sourced from PubChem (CID 159717494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).