N-naphthalen-2-yl-N-[4-(9-phenylcarbazol-1-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 167412525

IUPACN-naphthalen-2-yl-N-[4-(9-phenylcarbazol-1-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
SMILESc1ccc(-n2c3ccccc3c3cccc(-c4ccc(N(c5ccc6ccccc6c5)c5cc6ccc7cccc8c9cccc%10ccc%11cccc(c(c5)c6c78)c%11c%109)cc4)c32)cc1
InChIInChI=1S/C62H38N2/c1-2-17-46(18-3-1)64-57-25-7-6-19-51(57)55-24-11-20-50(62(55)64)40-31-33-47(34-32-40)63(48-35-30-39-12-4-5-13-44(39)36-48)49-37-45-29-28-43-15-9-22-53-52-21-8-14-41-26-27-42-16-10-23-54(60(42)58(41)52)56(38-49)61(45)59(43)53/h1-38H/b53-52-,56-54-
InChIKeyUYAARDBYBFBFQO-LAKNMREKSA-N
MW811.00 g/mol
LogP17.43
Rot. Bonds5

About N-naphthalen-2-yl-N-[4-(9-phenylcarbazol-1-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-[4-(9-phenylcarbazol-1-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 167412525) has the molecular formula C62H38N2 and a molecular weight of 811.00 g/mol. Its IUPAC name is N-naphthalen-2-yl-N-[4-(9-phenylcarbazol-1-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 NameN-naphthalen-2-yl-N-[4-(9-phenylcarbazol-1-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 CID167412525
Molecular FormulaC62H38N2
Molecular Weight811.00 g/mol
Exact Mass810.30
IUPAC NameN-naphthalen-2-yl-N-[4-(9-phenylcarbazol-1-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
SMILESc1ccc(-n2c3ccccc3c3cccc(-c4ccc(N(c5ccc6ccccc6c5)c5cc6ccc7cccc8c9cccc%10ccc%11cccc(c(c5)c6c78)c%11c%109)cc4)c32)cc1
InChIInChI=1S/C62H38N2/c1-2-17-46(18-3-1)64-57-25-7-6-19-51(57)55-24-11-20-50(62(55)64)40-31-33-47(34-32-40)63(48-35-30-39-12-4-5-13-44(39)36-48)49-37-45-29-28-43-15-9-22-53-52-21-8-14-41-26-27-42-16-10-23-54(60(42)58(41)52)56(38-49)61(45)59(43)53/h1-38H/b53-52-,56-54-
InChIKeyUYAARDBYBFBFQO-LAKNMREKSA-N
XLogP17.43
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500811.00
LogP ≤ 517.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-naphthalen-2-yl-N-[4-(9-phenylcarbazol-1-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 with MolForge

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Related Compounds

N-naphthalen-2-yl-N-[4-(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 167412375
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
N-(4-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-tetradecaenyl)-N,9-diphenylcarbazol-2-amine
CID 167413075
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
3-carbazol-9-yl-N-(4-naphthalen-1-ylphenyl)-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 164790714
N-phenyl-N-[4-[8-(9-phenylcarbazol-4-yl)naphthalen-1-yl]phenyl]naphthalen-2-amine
CID 169016163
N-[4-(11-phenylbenzo[a]carbazol-9-yl)phenyl]-N-[4-(8-phenylnaphthalen-1-yl)phenyl]naphthalen-2-amine
CID 168781705
N-[4-[2-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 130452731
N-[4-[2-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)naphthalen-2-amine
CID 118103057
3-carbazol-9-yl-N-[4-(8-naphthalen-2-ylnaphthalen-1-yl)phenyl]-N-phenylaniline
CID 170380197
N-[3-(9-phenylcarbazol-1-yl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]naphthalen-2-amine
CID 168788792
N-[3-(4-carbazol-9-ylphenyl)-5-(9-phenylcarbazol-1-yl)phenyl]-N,9-diphenylcarbazol-3-amine
CID 148828998

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-yl-N-[4-(9-phenylcarbazol-1-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-[4-(9-phenylcarbazol-1-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 167412525) is N-naphthalen-2-yl-N-[4-(9-phenylcarbazol-1-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-[4-(9-phenylcarbazol-1-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-[4-(9-phenylcarbazol-1-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(-n2c3ccccc3c3cccc(-c4ccc(N(c5ccc6ccccc6c5)c5cc6ccc7cccc8c9cccc%10ccc%11cccc(c(c5)c6c78)c%11c%109)cc4)c32)cc1.
What is the InChIKey of N-naphthalen-2-yl-N-[4-(9-phenylcarbazol-1-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 UYAARDBYBFBFQO-LAKNMREKSA-N. The full InChI is InChI=1S/C62H38N2/c1-2-17-46(18-3-1)64-57-25-7-6-19-51(57)55-24-11-20-50(62(55)64)40-31-33-47(34-32-40)63(48-35-30-39-12-4-5-13-44(39)36-48)49-37-45-29-28-43-15-9-22-53-52-21-8-14-41-26-27-42-16-10-23-54(60(42)58(41)52)56(38-49)61(45)59(43)53/h1-38H/b53-52-,56-54-.
What are the key properties of N-naphthalen-2-yl-N-[4-(9-phenylcarbazol-1-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-[4-(9-phenylcarbazol-1-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-[4-(9-phenylcarbazol-1-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 167412525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).