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

C52H32N2 — CID 167413075

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,9-diphenylcarbazol-2-amine
SMILESc1ccc(N(c2cc3ccc4cccc5c6cccc7ccc8cccc(c(c2)c3c45)c8c76)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C52H32N2/c1-3-15-37(16-4-1)53(39-28-29-42-41-19-7-8-23-47(41)54(48(42)32-39)38-17-5-2-6-18-38)40-30-36-27-26-35-13-10-21-44-43-20-9-12-33-24-25-34-14-11-22-45(51(34)49(33)43)46(31-40)52(36)50(35)44/h1-32H/b44-43-,46-45-
InChIKeyHIWMWTYZKAWDFU-PHJOFKSPSA-N
MW684.84 g/mol
LogP14.61
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,9-diphenylcarbazol-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,9-diphenylcarbazol-2-amine (PubChem CID 167413075) has the molecular formula C52H32N2 and a molecular weight of 684.84 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,9-diphenylcarbazol-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,9-diphenylcarbazol-2-amine
PubChem CID167413075
Molecular FormulaC52H32N2
Molecular Weight684.84 g/mol
Exact Mass684.26
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,9-diphenylcarbazol-2-amine
SMILESc1ccc(N(c2cc3ccc4cccc5c6cccc7ccc8cccc(c(c2)c3c45)c8c76)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C52H32N2/c1-3-15-37(16-4-1)53(39-28-29-42-41-19-7-8-23-47(41)54(48(42)32-39)38-17-5-2-6-18-38)40-30-36-27-26-35-13-10-21-44-43-20-9-12-33-24-25-34-14-11-22-45(51(34)49(33)43)46(31-40)52(36)50(35)44/h1-32H/b44-43-,46-45-
InChIKeyHIWMWTYZKAWDFU-PHJOFKSPSA-N
XLogP14.61
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500684.84
LogP ≤ 514.61
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,9-diphenylcarbazol-2-amine with MolForge

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Related Compounds

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-(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
1-N-chrysen-2-yl-1-N,3-N-diphenyl-3-N-(9-phenylcarbazol-2-yl)benzene-1,3-diamine
CID 170410465
1-N,3-N,3-N,5-tetraphenyl-1-N-(9-phenylcarbazol-2-yl)phenanthrene-1,3-diamine
CID 162490051
1-N-naphthalen-2-yl-3-N-[3-(N-naphthalen-2-ylanilino)phenyl]-1-N-phenyl-3-N-(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 177275896
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-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
N-chrysen-2-yl-N,9-diphenylcarbazol-3-amine
CID 170138733
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-[3-(7-naphthalen-2-ylnaphthalen-2-yl)phenyl]-N,9-diphenylcarbazol-2-amine
CID 174258383

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,9-diphenylcarbazol-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,9-diphenylcarbazol-2-amine (CID 167413075) 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,9-diphenylcarbazol-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,9-diphenylcarbazol-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,9-diphenylcarbazol-2-amine is c1ccc(N(c2cc3ccc4cccc5c6cccc7ccc8cccc(c(c2)c3c45)c8c76)c2ccc3c4ccccc4n(-c4ccccc4)c3c2)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,9-diphenylcarbazol-2-amine?
The InChIKey is HIWMWTYZKAWDFU-PHJOFKSPSA-N. The full InChI is InChI=1S/C52H32N2/c1-3-15-37(16-4-1)53(39-28-29-42-41-19-7-8-23-47(41)54(48(42)32-39)38-17-5-2-6-18-38)40-30-36-27-26-35-13-10-21-44-43-20-9-12-33-24-25-34-14-11-22-45(51(34)49(33)43)46(31-40)52(36)50(35)44/h1-32H/b44-43-,46-45-.
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,9-diphenylcarbazol-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,9-diphenylcarbazol-2-amine has a molecular weight of 684.84 g/mol, XLogP of 14.61, 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,9-diphenylcarbazol-2-amine is sourced from PubChem (CID 167413075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).