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

C56H34N2 — CID 167412869

IUPACN-(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
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4cc5ccc6cccc7c8cccc9ccc%10cccc(c(c4)c5c67)c%10c98)c4cccc5ccccc45)cc32)cc1
InChIInChI=1S/C56H34N2/c1-2-17-40(18-3-1)58-51-24-7-6-20-44(51)45-31-30-41(34-52(45)58)57(50-25-11-13-35-12-4-5-19-43(35)50)42-32-39-29-28-38-15-9-22-47-46-21-8-14-36-26-27-37-16-10-23-48(55(37)53(36)46)49(33-42)56(39)54(38)47/h1-34H/b47-46-,49-48-
InChIKeyMZKYVBPHNHBCTR-XYIGNXAYSA-N
MW734.90 g/mol
LogP15.76
Rot. Bonds4

About 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

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 (PubChem CID 167412869) has the molecular formula C56H34N2 and a molecular weight of 734.90 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID167412869
Molecular FormulaC56H34N2
Molecular Weight734.90 g/mol
Exact Mass734.27
IUPAC NameN-(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
SMILESc1ccc(-n2c3ccccc3c3ccc(N(c4cc5ccc6cccc7c8cccc9ccc%10cccc(c(c4)c5c67)c%10c98)c4cccc5ccccc45)cc32)cc1
InChIInChI=1S/C56H34N2/c1-2-17-40(18-3-1)58-51-24-7-6-20-44(51)45-31-30-41(34-52(45)58)57(50-25-11-13-35-12-4-5-19-43(35)50)42-32-39-29-28-38-15-9-22-47-46-21-8-14-36-26-27-37-16-10-23-48(55(37)53(36)46)49(33-42)56(39)54(38)47/h1-34H/b47-46-,49-48-
InChIKeyMZKYVBPHNHBCTR-XYIGNXAYSA-N
XLogP15.76
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.90
LogP ≤ 515.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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 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-naphthalen-1-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 167410662
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-naphthalen-1-yl-N-phenanthren-2-ylheptacyclo[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 167410701
1-N,3-N,3-N,5-tetraphenyl-1-N-(9-phenylcarbazol-2-yl)phenanthrene-1,3-diamine
CID 162490051
N-benzo[c]phenanthren-1-yl-N,9-diphenylcarbazol-3-amine
CID 167182825
4-N-chrysen-1-yl-1-N,4-N-diphenyl-1-N-(9-phenylcarbazol-3-yl)benzene-1,4-diamine
CID 170410319
3-N,6-N-dinaphthalen-1-yl-3-N,6-N-bis(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole-3,6-diamine
CID 59132913
N-chrysen-2-yl-9-phenyl-N-(2-phenylphenyl)carbazol-2-amine
CID 170138786
CID 162446856
CID 162446856
N-chrysen-1-yl-N-dibenzofuran-2-yl-9-phenylcarbazol-2-amine
CID 170138950
7-bromo-N-naphthalen-1-yl-N,9-diphenylcarbazol-2-amine
CID 121328079

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-n2c3ccccc3c3ccc(N(c4cc5ccc6cccc7c8cccc9ccc%10cccc(c(c4)c5c67)c%10c98)c4cccc5ccccc45)cc32)cc1.
What is the InChIKey of 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?
The InChIKey is MZKYVBPHNHBCTR-XYIGNXAYSA-N. The full InChI is InChI=1S/C56H34N2/c1-2-17-40(18-3-1)58-51-24-7-6-20-44(51)45-31-30-41(34-52(45)58)57(50-25-11-13-35-12-4-5-19-43(35)50)42-32-39-29-28-38-15-9-22-47-46-21-8-14-36-26-27-37-16-10-23-48(55(37)53(36)46)49(33-42)56(39)54(38)47/h1-34H/b47-46-,49-48-.
What are the key properties of 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?
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 has a molecular weight of 734.90 g/mol, XLogP of 15.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167412869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).