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

C58H36N2 — CID 167410866

IUPACN-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
SMILESc1ccc(N(c2ccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)c2cc3ccc4cccc5c6cccc7ccc8cccc(c(c2)c3c45)c8c76)cc1
InChIInChI=1S/C58H36N2/c1-3-15-43(16-4-1)59(45-31-28-37(29-32-45)41-30-33-48-47-19-7-8-23-53(47)60(54(48)35-41)44-17-5-2-6-18-44)46-34-42-27-26-40-13-10-21-50-49-20-9-12-38-24-25-39-14-11-22-51(57(39)55(38)49)52(36-46)58(42)56(40)50/h1-36H/b50-49-,52-51-
InChIKeyJQFCMODBRTZSSV-FQHRVBOESA-N
MW760.94 g/mol
LogP16.28
Rot. Bonds5

About 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

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 (PubChem CID 167410866) has the molecular formula C58H36N2 and a molecular weight of 760.94 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID167410866
Molecular FormulaC58H36N2
Molecular Weight760.94 g/mol
Exact Mass760.29
IUPAC NameN-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
SMILESc1ccc(N(c2ccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)c2cc3ccc4cccc5c6cccc7ccc8cccc(c(c2)c3c45)c8c76)cc1
InChIInChI=1S/C58H36N2/c1-3-15-43(16-4-1)59(45-31-28-37(29-32-45)41-30-33-48-47-19-7-8-23-53(47)60(54(48)35-41)44-17-5-2-6-18-44)46-34-42-27-26-40-13-10-21-50-49-20-9-12-38-24-25-39-14-11-22-51(57(39)55(38)49)52(36-46)58(42)56(40)50/h1-36H/b50-49-,52-51-
InChIKeyJQFCMODBRTZSSV-FQHRVBOESA-N
XLogP16.28
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.94
LogP ≤ 516.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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-(4-phenylphenyl)-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]naphthalen-2-amine
CID 118505881
N,N-bis(4-carbazol-9-ylphenyl)-4-(9-phenylcarbazol-2-yl)aniline
CID 71038441
N-(4-carbazol-9-ylphenyl)-N,4-bis[4-(9-phenylcarbazol-2-yl)phenyl]aniline
CID 89213116
N-(4-carbazol-9-ylphenyl)-N-(3-phenylphenyl)pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaen-5-amine
CID 177100543
N,9-diphenyl-N-[6-(6-phenylnaphthalen-2-yl)naphthalen-2-yl]carbazol-2-amine
CID 174257903
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-naphthalen-1-yl-9-phenylcarbazol-2-amine
CID 167412869
N-(4-carbazol-9-ylphenyl)-4-phenyl-N-[4-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]aniline
CID 71038437
9-phenyl-N-(9-phenylcarbazol-2-yl)-N-[4-(9-phenylcarbazol-2-yl)phenyl]carbazol-2-amine
CID 138747235
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9-phenylcarbazol-2-yl)phenyl]-4-(4-phenylphenyl)aniline
CID 71038382
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-[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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(N(c2ccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc2)c2cc3ccc4cccc5c6cccc7ccc8cccc(c(c2)c3c45)c8c76)cc1.
What is the InChIKey of 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?
The InChIKey is JQFCMODBRTZSSV-FQHRVBOESA-N. The full InChI is InChI=1S/C58H36N2/c1-3-15-43(16-4-1)59(45-31-28-37(29-32-45)41-30-33-48-47-19-7-8-23-53(47)60(54(48)35-41)44-17-5-2-6-18-44)46-34-42-27-26-40-13-10-21-50-49-20-9-12-38-24-25-39-14-11-22-51(57(39)55(38)49)52(36-46)58(42)56(40)50/h1-36H/b50-49-,52-51-.
What are the key properties of 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?
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 has a molecular weight of 760.94 g/mol, XLogP of 16.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167410866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).