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

C45H33N — CID 121419327

IUPAC6-(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
SMILES[2H]c1c([2H])c([2H])c(N(c2ccc(-c3ccccc3)cc2)c2ccc3cc(-c4cc5c6c(ccc7cccc(c76)C5(C)C)c4)ccc3c2)c([2H])c1[2H]
InChIInChI=1S/C45H33N/c1-45(2)41-15-9-12-32-16-19-36-27-37(29-42(45)44(36)43(32)41)34-17-18-35-28-40(25-22-33(35)26-34)46(38-13-7-4-8-14-38)39-23-20-31(21-24-39)30-10-5-3-6-11-30/h3-29H,1-2H3/i4D,7D,8D,13D,14D
InChIKeyCDRANUROMRYZEX-KVKRPVSRSA-N
MW592.80 g/mol
LogP12.59
Rot. Bonds5

About 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

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 (PubChem CID 121419327) has the molecular formula C45H33N and a molecular weight of 592.80 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-(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
PubChem CID121419327
Molecular FormulaC45H33N
Molecular Weight592.80 g/mol
Exact Mass592.29
IUPAC Name6-(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
SMILES[2H]c1c([2H])c([2H])c(N(c2ccc(-c3ccccc3)cc2)c2ccc3cc(-c4cc5c6c(ccc7cccc(c76)C5(C)C)c4)ccc3c2)c([2H])c1[2H]
InChIInChI=1S/C45H33N/c1-45(2)41-15-9-12-32-16-19-36-27-37(29-42(45)44(36)43(32)41)34-17-18-35-28-40(25-22-33(35)26-34)46(38-13-7-4-8-14-38)39-23-20-31(21-24-39)30-10-5-3-6-11-30/h3-29H,1-2H3/i4D,7D,8D,13D,14D
InChIKeyCDRANUROMRYZEX-KVKRPVSRSA-N
XLogP12.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.80
LogP ≤ 512.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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
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
2,3,5,6-tetradeuterio-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-N-(4-phenylphenyl)-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline
CID 171451790
2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)-N-(4-phenylphenyl)-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]aniline
CID 171452428
2,3,5,6-tetradeuterio-N-[4-(3-naphthalen-2-ylphenyl)phenyl]-4-(2,3,4,5,6-pentadeuteriophenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 171451879
N-[4-(15,15-dimethyl-10-phenyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaenyl)phenyl]-N-(4-pyridin-3-ylphenyl)naphthalen-2-amine
CID 121419359
9,9-dimethyl-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]fluoren-2-amine
CID 171452097
2,3,5,6-tetradeuterio-N-(3-naphthalen-2-ylphenyl)-N-(4-naphthalen-2-ylphenyl)-4-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]aniline
CID 171451203
9,9-dimethyl-N-[2,3,5,6-tetradeuterio-4-(3-naphthalen-2-ylphenyl)phenyl]-N-[2,3,5,6-tetradeuterio-4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 171451946
9,9-dimethyl-7-(4-naphthalen-2-ylphenyl)-N-phenyl-N-(6-phenylnaphthalen-2-yl)fluoren-2-amine
CID 118500358
9,9-dimethyl-N-(3-naphthalen-2-ylphenyl)-N-(2,3,5,6-tetradeuterio-4-phenylphenyl)fluoren-2-amine
CID 171452515
2,3,4,5,6-pentadeuterio-N-[4-[3-[4-(N-(2,3,4,5,6-pentadeuteriophenyl)-4-phenylanilino)phenyl]phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 121295016

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is [2H]c1c([2H])c([2H])c(N(c2ccc(-c3ccccc3)cc2)c2ccc3cc(-c4cc5c6c(ccc7cccc(c76)C5(C)C)c4)ccc3c2)c([2H])c1[2H].
What is the InChIKey of 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?
The InChIKey is CDRANUROMRYZEX-KVKRPVSRSA-N. The full InChI is InChI=1S/C45H33N/c1-45(2)41-15-9-12-32-16-19-36-27-37(29-42(45)44(36)43(32)41)34-17-18-35-28-40(25-22-33(35)26-34)46(38-13-7-4-8-14-38)39-23-20-31(21-24-39)30-10-5-3-6-11-30/h3-29H,1-2H3/i4D,7D,8D,13D,14D.
What are the key properties of 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?
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 has a molecular weight of 592.80 g/mol, XLogP of 12.59, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 121419327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).