6-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-6-yl)-N,N-bis(4-phenylphenyl)naphthalen-2-amine

C62H40N2 — CID 90305755

IUPAC6-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-6-yl)-N,N-bis(4-phenylphenyl)naphthalen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4cc(-c5ccc6c7c8ccc9cccc%10ccc(cc7n(-c7ccccc7)c6c5)c8c%109)ccc4c3)cc2)cc1
InChIInChI=1S/C62H40N2/c1-4-11-41(12-5-1)43-23-30-53(31-24-43)63(54-32-25-44(26-33-54)42-13-6-2-7-14-42)55-34-27-48-37-47(20-21-49(48)38-55)50-29-35-56-58(39-50)64(52-17-8-3-9-18-52)59-40-51-22-19-45-15-10-16-46-28-36-57(62(56)59)61(51)60(45)46/h1-40H
InChIKeyWEKVTLWZDJWHTE-UHFFFAOYSA-N
MW813.02 g/mol
LogP17.31
Rot. Bonds7

About 6-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-6-yl)-N,N-bis(4-phenylphenyl)naphthalen-2-amine

6-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-6-yl)-N,N-bis(4-phenylphenyl)naphthalen-2-amine (PubChem CID 90305755) has the molecular formula C62H40N2 and a molecular weight of 813.02 g/mol. Its IUPAC name is 6-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-6-yl)-N,N-bis(4-phenylphenyl)naphthalen-2-amine.

Molecular Properties

Compound Name6-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-6-yl)-N,N-bis(4-phenylphenyl)naphthalen-2-amine
PubChem CID90305755
Molecular FormulaC62H40N2
Molecular Weight813.02 g/mol
Exact Mass812.32
IUPAC Name6-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-6-yl)-N,N-bis(4-phenylphenyl)naphthalen-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4cc(-c5ccc6c7c8ccc9cccc%10ccc(cc7n(-c7ccccc7)c6c5)c8c%109)ccc4c3)cc2)cc1
InChIInChI=1S/C62H40N2/c1-4-11-41(12-5-1)43-23-30-53(31-24-43)63(54-32-25-44(26-33-54)42-13-6-2-7-14-42)55-34-27-48-37-47(20-21-49(48)38-55)50-29-35-56-58(39-50)64(52-17-8-3-9-18-52)59-40-51-22-19-45-15-10-16-46-28-36-57(62(56)59)61(51)60(45)46/h1-40H
InChIKeyWEKVTLWZDJWHTE-UHFFFAOYSA-N
XLogP17.31
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500813.02
LogP ≤ 517.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-6-yl)-N,N-bis(4-phenylphenyl)naphthalen-2-amine with MolForge

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Related Compounds

7-naphthalen-2-yl-N,N,9-triphenylcarbazol-2-amine
CID 146573850
N-[7-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 174258176
N,9-diphenyl-N-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]carbazol-2-amine
CID 174257903
5-naphthalen-2-yl-N-(4-naphthalen-2-ylphenyl)-9-phenyl-N-(4-phenylphenyl)carbazol-2-amine
CID 169010262
4-N-[9,9-dimethyl-7-(9-naphthalen-2-yl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-6-yl)fluoren-2-yl]-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 90305743
N-[4-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9-phenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 174258406
5-naphthalen-2-yl-9-phenyl-N-(3-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine
CID 169010271
N-(4-naphthalen-2-ylphenyl)-9-phenyl-5-(2-phenylphenyl)-N-(4-phenylphenyl)carbazol-2-amine
CID 169010246
5-naphthalen-2-yl-N,9-diphenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 169009775
7-naphthalen-1-yl-N-(4-naphthalen-2-ylphenyl)-N,9-diphenylcarbazol-2-amine
CID 146573851
N-phenyl-N-[4-(9-phenylcarbazol-2-yl)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 167410866
N-[7-(3-naphthalen-2-ylphenyl)naphthalen-2-yl]-9-phenyl-N-(3-phenylphenyl)carbazol-2-amine
CID 174258187

Frequently Asked Questions

What is the IUPAC name of 6-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-6-yl)-N,N-bis(4-phenylphenyl)naphthalen-2-amine?
The IUPAC name of 6-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-6-yl)-N,N-bis(4-phenylphenyl)naphthalen-2-amine (CID 90305755) is 6-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-6-yl)-N,N-bis(4-phenylphenyl)naphthalen-2-amine.
What is the SMILES notation for 6-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-6-yl)-N,N-bis(4-phenylphenyl)naphthalen-2-amine?
The canonical SMILES for 6-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-6-yl)-N,N-bis(4-phenylphenyl)naphthalen-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc4cc(-c5ccc6c7c8ccc9cccc%10ccc(cc7n(-c7ccccc7)c6c5)c8c%109)ccc4c3)cc2)cc1.
What is the InChIKey of 6-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-6-yl)-N,N-bis(4-phenylphenyl)naphthalen-2-amine?
The InChIKey is WEKVTLWZDJWHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H40N2/c1-4-11-41(12-5-1)43-23-30-53(31-24-43)63(54-32-25-44(26-33-54)42-13-6-2-7-14-42)55-34-27-48-37-47(20-21-49(48)38-55)50-29-35-56-58(39-50)64(52-17-8-3-9-18-52)59-40-51-22-19-45-15-10-16-46-28-36-57(62(56)59)61(51)60(45)46/h1-40H.
What are the key properties of 6-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-6-yl)-N,N-bis(4-phenylphenyl)naphthalen-2-amine?
6-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-6-yl)-N,N-bis(4-phenylphenyl)naphthalen-2-amine has a molecular weight of 813.02 g/mol, XLogP of 17.31, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(9-phenyl-9-azahexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15(23),16,18,20-undecaen-6-yl)-N,N-bis(4-phenylphenyl)naphthalen-2-amine is sourced from PubChem (CID 90305755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).