N-naphthalen-2-yl-N-[3-(9-phenylcarbazol-4-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

C62H38N2 — CID 167410562

About N-naphthalen-2-yl-N-[3-(9-phenylcarbazol-4-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

N-naphthalen-2-yl-N-[3-(9-phenylcarbazol-4-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 (PubChem CID 167410562) has the molecular formula C62H38N2 and a molecular weight of 811.00 g/mol. Its IUPAC name is N-naphthalen-2-yl-N-[3-(9-phenylcarbazol-4-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.

Molecular Properties

• Compound Name: N-naphthalen-2-yl-N-[3-(9-phenylcarbazol-4-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
• PubChem CID: 167410562
• Molecular Formula: C62H38N2
• Molecular Weight: 811.00 g/mol
• Exact Mass: 810.30
• IUPAC Name: N-naphthalen-2-yl-N-[3-(9-phenylcarbazol-4-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
• SMILES: c1ccc(-n2c3ccccc3c3c(-c4cccc(N(c5ccc6ccccc6c5)c5cc6ccc7cccc8c9cccc%10ccc%11cccc(c(c5)c6c78)c%11c%109)c4)cccc32)cc1
• InChI: InChI=1S/C62H38N2/c1-2-19-46(20-3-1)64-56-27-7-6-22-54(56)62-50(23-12-28-57(62)64)44-18-8-21-47(36-44)63(48-34-33-39-13-4-5-14-43(39)35-48)49-37-45-32-31-42-16-10-25-52-51-24-9-15-40-29-30-41-17-11-26-53(60(41)58(40)51)55(38-49)61(45)59(42)52/h1-38H/b52-51-,55-53-
• InChIKey: KDJXCPRFYYUJCZ-UAAQKAOZSA-N
• XLogP: 17.43
• TPSA: 8.17 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	811.00
LogP ≤ 5	17.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-N-[3-(9-phenylcarbazol-4-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?

The IUPAC name of N-naphthalen-2-yl-N-[3-(9-phenylcarbazol-4-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 167410562) is N-naphthalen-2-yl-N-[3-(9-phenylcarbazol-4-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.

What is the SMILES notation for N-naphthalen-2-yl-N-[3-(9-phenylcarbazol-4-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?

The canonical SMILES for N-naphthalen-2-yl-N-[3-(9-phenylcarbazol-4-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 is c1ccc(-n2c3ccccc3c3c(-c4cccc(N(c5ccc6ccccc6c5)c5cc6ccc7cccc8c9cccc%10ccc%11cccc(c(c5)c6c78)c%11c%109)c4)cccc32)cc1.

What is the InChIKey of N-naphthalen-2-yl-N-[3-(9-phenylcarbazol-4-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?

The InChIKey is KDJXCPRFYYUJCZ-UAAQKAOZSA-N. The full InChI is InChI=1S/C62H38N2/c1-2-19-46(20-3-1)64-56-27-7-6-22-54(56)62-50(23-12-28-57(62)64)44-18-8-21-47(36-44)63(48-34-33-39-13-4-5-14-43(39)35-48)49-37-45-32-31-42-16-10-25-52-51-24-9-15-40-29-30-41-17-11-26-53(60(41)58(40)51)55(38-49)61(45)59(42)52/h1-38H/b52-51-,55-53-.

What are the key properties of N-naphthalen-2-yl-N-[3-(9-phenylcarbazol-4-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?

N-naphthalen-2-yl-N-[3-(9-phenylcarbazol-4-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 has a molecular weight of 811.00 g/mol, XLogP of 17.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-naphthalen-2-yl-N-[3-(9-phenylcarbazol-4-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 is sourced from PubChem (CID 167410562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).