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

C62H38N2 — CID 167410662

IUPACN-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
SMILESc1ccc(-n2c3ccccc3c3c(-c4cccc(N(c5cc6ccc7cccc8c9cccc%10ccc%11cccc(c(c5)c6c78)c%11c%109)c5cccc6ccccc56)c4)cccc32)cc1
InChIInChI=1S/C62H38N2/c1-2-20-45(21-3-1)64-56-29-7-6-24-53(56)62-49(25-13-31-57(62)64)43-19-8-22-46(36-43)63(55-30-12-15-39-14-4-5-23-48(39)55)47-37-44-35-34-42-17-10-27-51-50-26-9-16-40-32-33-41-18-11-28-52(60(41)58(40)50)54(38-47)61(44)59(42)51/h1-38H/b51-50-,54-52-
InChIKeyPORMTTFKGYQGBH-CGIAOOLESA-N
MW811.00 g/mol
LogP17.43
Rot. Bonds5

About 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

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 (PubChem CID 167410662) has the molecular formula C62H38N2 and a molecular weight of 811.00 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-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
PubChem CID167410662
Molecular FormulaC62H38N2
Molecular Weight811.00 g/mol
Exact Mass810.30
IUPAC NameN-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
SMILESc1ccc(-n2c3ccccc3c3c(-c4cccc(N(c5cc6ccc7cccc8c9cccc%10ccc%11cccc(c(c5)c6c78)c%11c%109)c5cccc6ccccc56)c4)cccc32)cc1
InChIInChI=1S/C62H38N2/c1-2-20-45(21-3-1)64-56-29-7-6-24-53(56)62-49(25-13-31-57(62)64)43-19-8-22-46(36-43)63(55-30-12-15-39-14-4-5-23-48(39)55)47-37-44-35-34-42-17-10-27-51-50-26-9-16-40-32-33-41-18-11-28-52(60(41)58(40)50)54(38-47)61(44)59(42)51/h1-38H/b51-50-,54-52-
InChIKeyPORMTTFKGYQGBH-CGIAOOLESA-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-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 with MolForge

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Related Compounds

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-[3-(9-phenylcarbazol-4-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]naphthalen-1-amine
CID 166659485
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-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-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]-N-[4-(2-phenylphenyl)phenyl]naphthalen-1-amine
CID 166659786
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-1-amine
CID 167195242
N-naphthalen-1-yl-N-[3-(7-phenylbenzo[c]carbazol-11-yl)phenyl]naphthalen-2-amine
CID 167195044
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[3-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]naphthalen-1-amine
CID 167195982
N-[4-(3,4-diphenylphenyl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]naphthalen-1-amine
CID 164832079
N-naphthalen-1-yl-5,9-diphenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 169010104
N-[3-(9,10-diphenylphenanthren-2-yl)phenyl]-N-[3-(9-phenylcarbazol-4-yl)phenyl]phenanthren-1-amine
CID 169062808
N-(3-naphthalen-2-ylphenyl)-N-[3-(9-phenylcarbazol-4-yl)phenyl]-2-[2-(2-phenylphenyl)phenyl]aniline
CID 172501542

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-n2c3ccccc3c3c(-c4cccc(N(c5cc6ccc7cccc8c9cccc%10ccc%11cccc(c(c5)c6c78)c%11c%109)c5cccc6ccccc56)c4)cccc32)cc1.
What is the InChIKey of 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?
The InChIKey is PORMTTFKGYQGBH-CGIAOOLESA-N. The full InChI is InChI=1S/C62H38N2/c1-2-20-45(21-3-1)64-56-29-7-6-24-53(56)62-49(25-13-31-57(62)64)43-19-8-22-46(36-43)63(55-30-12-15-39-14-4-5-23-48(39)55)47-37-44-35-34-42-17-10-27-51-50-26-9-16-40-32-33-41-18-11-28-52(60(41)58(40)50)54(38-47)61(44)59(42)51/h1-38H/b51-50-,54-52-.
What are the key properties of 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?
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 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-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 is sourced from PubChem (CID 167410662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).