N-(4-naphthalen-1-ylphenyl)-N-phenanthren-2-ylheptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaen-19-amine

C58H35N — CID 167412644

IUPACN-(4-naphthalen-1-ylphenyl)-N-phenanthren-2-ylheptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaen-19-amine
SMILESc1ccc2c(-c3ccc(N(c4ccc5c(ccc6ccccc65)c4)c4cc5cccc6c7cccc8ccc9cccc(c%10cccc4c%10c56)c9c87)cc3)cccc2c1
InChIInChI=1S/C58H35N/c1-3-16-45-36(10-1)12-5-18-47(45)38-28-30-43(31-29-38)59(44-32-33-48-41(34-44)27-24-37-11-2-4-17-46(37)48)54-35-42-15-8-21-50-49-19-6-13-39-25-26-40-14-7-20-51(56(40)55(39)49)52-22-9-23-53(54)58(52)57(42)50/h1-35H/b50-49-,52-51-
InChIKeyFQLMLAHKFUWRRO-FQHRVBOESA-N
MW745.93 g/mol
LogP16.64
Rot. Bonds4

About N-(4-naphthalen-1-ylphenyl)-N-phenanthren-2-ylheptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaen-19-amine

N-(4-naphthalen-1-ylphenyl)-N-phenanthren-2-ylheptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaen-19-amine (PubChem CID 167412644) has the molecular formula C58H35N and a molecular weight of 745.93 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-N-phenanthren-2-ylheptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaen-19-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-N-phenanthren-2-ylheptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaen-19-amine
PubChem CID167412644
Molecular FormulaC58H35N
Molecular Weight745.93 g/mol
Exact Mass745.28
IUPAC NameN-(4-naphthalen-1-ylphenyl)-N-phenanthren-2-ylheptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaen-19-amine
SMILESc1ccc2c(-c3ccc(N(c4ccc5c(ccc6ccccc65)c4)c4cc5cccc6c7cccc8ccc9cccc(c%10cccc4c%10c56)c9c87)cc3)cccc2c1
InChIInChI=1S/C58H35N/c1-3-16-45-36(10-1)12-5-18-47(45)38-28-30-43(31-29-38)59(44-32-33-48-41(34-44)27-24-37-11-2-4-17-46(37)48)54-35-42-15-8-21-50-49-19-6-13-39-25-26-40-14-7-20-51(56(40)55(39)49)52-22-9-23-53(54)58(52)57(42)50/h1-35H/b50-49-,52-51-
InChIKeyFQLMLAHKFUWRRO-FQHRVBOESA-N
XLogP16.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.93
LogP ≤ 516.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(4-naphthalen-1-ylphenyl)-N-phenanthren-2-ylheptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaen-19-amine with MolForge

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Related Compounds

N,N-bis(4-naphthalen-1-ylphenyl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaen-19-amine
CID 167411336
N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaen-19-amine
CID 167412849
N-naphthalen-1-yl-N-(4-naphthalen-1-ylphenyl)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-6-amine
CID 177100449
N-(4-naphthalen-1-ylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaen-19-amine
CID 167412228
N-(4-dibenzofuran-4-ylphenyl)-N-(4-naphthalen-1-ylphenyl)heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaen-19-amine
CID 167412293
N-(4-naphthalen-1-ylphenyl)-N-(4-phenylphenyl)benzo[c]phenanthren-5-amine
CID 167183072
N-(4-naphthalen-1-ylphenyl)-N-phenanthren-3-ylphenanthren-1-amine
CID 168809817
N-(4-naphthalen-1-ylphenyl)-N-[4-(6-phenylnaphthalen-2-yl)phenyl]phenanthren-9-amine
CID 139352901
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(4-naphthalen-1-yl-2-phenylphenyl)phenanthren-2-amine
CID 167183092
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-9-ylnaphtho[1,2-b][1]benzofuran-3-amine
CID 167277546
N-naphthalen-2-yl-N-(4-naphthalen-1-ylphenyl)chrysen-3-amine
CID 170130702
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-phenanthren-9-yl-9,10-diphenylphenanthren-2-amine
CID 169064130

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-phenanthren-2-ylheptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaen-19-amine?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-N-phenanthren-2-ylheptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaen-19-amine (CID 167412644) is N-(4-naphthalen-1-ylphenyl)-N-phenanthren-2-ylheptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaen-19-amine.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-N-phenanthren-2-ylheptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaen-19-amine?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-N-phenanthren-2-ylheptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaen-19-amine is c1ccc2c(-c3ccc(N(c4ccc5c(ccc6ccccc65)c4)c4cc5cccc6c7cccc8ccc9cccc(c%10cccc4c%10c56)c9c87)cc3)cccc2c1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-N-phenanthren-2-ylheptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaen-19-amine?
The InChIKey is FQLMLAHKFUWRRO-FQHRVBOESA-N. The full InChI is InChI=1S/C58H35N/c1-3-16-45-36(10-1)12-5-18-47(45)38-28-30-43(31-29-38)59(44-32-33-48-41(34-44)27-24-37-11-2-4-17-46(37)48)54-35-42-15-8-21-50-49-19-6-13-39-25-26-40-14-7-20-51(56(40)55(39)49)52-22-9-23-53(54)58(52)57(42)50/h1-35H/b50-49-,52-51-.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-N-phenanthren-2-ylheptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaen-19-amine?
N-(4-naphthalen-1-ylphenyl)-N-phenanthren-2-ylheptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaen-19-amine has a molecular weight of 745.93 g/mol, XLogP of 16.64, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-ylphenyl)-N-phenanthren-2-ylheptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaen-19-amine is sourced from PubChem (CID 167412644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).