N-(4-dibenzofuran-1-ylphenyl)-N-(2-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

C58H35NO — CID 167410792

IUPACN-(4-dibenzofuran-1-ylphenyl)-N-(2-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
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3cccc4oc5ccccc5c34)cc2)c2cc3cccc4c5cccc6ccc7cccc(c8cccc2c8c34)c7c65)cc1
InChIInChI=1S/C58H35NO/c1-2-13-36(14-3-1)42-18-4-6-26-50(42)59(41-33-31-37(32-34-41)43-20-12-28-53-57(43)49-19-5-7-27-52(49)60-53)51-35-40-17-10-23-45-44-21-8-15-38-29-30-39-16-9-22-46(55(39)54(38)44)47-24-11-25-48(51)58(47)56(40)45/h1-35H/b45-44-,47-46-
InChIKeyAFAILYFHYASICN-IBWPKRNYSA-N
MW761.92 g/mol
LogP16.75
Rot. Bonds5

About N-(4-dibenzofuran-1-ylphenyl)-N-(2-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

N-(4-dibenzofuran-1-ylphenyl)-N-(2-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 (PubChem CID 167410792) has the molecular formula C58H35NO and a molecular weight of 761.92 g/mol. Its IUPAC name is N-(4-dibenzofuran-1-ylphenyl)-N-(2-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.

Molecular Properties

Compound NameN-(4-dibenzofuran-1-ylphenyl)-N-(2-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
PubChem CID167410792
Molecular FormulaC58H35NO
Molecular Weight761.92 g/mol
Exact Mass761.27
IUPAC NameN-(4-dibenzofuran-1-ylphenyl)-N-(2-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
SMILESc1ccc(-c2ccccc2N(c2ccc(-c3cccc4oc5ccccc5c34)cc2)c2cc3cccc4c5cccc6ccc7cccc(c8cccc2c8c34)c7c65)cc1
InChIInChI=1S/C58H35NO/c1-2-13-36(14-3-1)42-18-4-6-26-50(42)59(41-33-31-37(32-34-41)43-20-12-28-53-57(43)49-19-5-7-27-52(49)60-53)51-35-40-17-10-23-45-44-21-8-15-38-29-30-39-16-9-22-46(55(39)54(38)44)47-24-11-25-48(51)58(47)56(40)45/h1-35H/b45-44-,47-46-
InChIKeyAFAILYFHYASICN-IBWPKRNYSA-N
XLogP16.75
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500761.92
LogP ≤ 516.75
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-dibenzofuran-1-ylphenyl)-N-(2-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 with MolForge

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Related Compounds

N-(4-dibenzofuran-1-ylphenyl)-N-(4-phenylphenyl)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 167412383
N-(2-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-1-ylphenyl)naphthalen-1-amine
CID 167324686
N-(4-dibenzofuran-1-ylphenyl)-2,4-diphenyl-N-[2-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170294710
N-(19-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-tetradecaenyl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 167411494
N-(4-dibenzofuran-1-ylphenyl)-N-phenylheptacyclo[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 167413014
N-(4-dibenzofuran-2-ylphenyl)-N-[2-(8-phenylnaphthalen-1-yl)phenyl]-2-(4-phenylphenyl)aniline
CID 170294764
N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 154605463
N-(4-dibenzofuran-1-ylphenyl)-N-(2-phenanthren-1-ylphenyl)-2-(4-phenanthren-1-ylphenyl)aniline
CID 176810406
N-(4-dibenzofuran-1-ylphenyl)-N-[2-(3-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 155186946
N-(4-dibenzofuran-1-ylphenyl)-N-(2-naphthalen-2-ylphenyl)-6-phenyldibenzofuran-4-amine
CID 167396921
N-[2-(8-phenylnaphthalen-1-yl)phenyl]-N-[2-(4-phenylphenyl)phenyl]dibenzofuran-2-amine
CID 170294786
N-(4-dibenzofuran-1-ylphenyl)-N,2-bis(4-phenanthren-3-ylphenyl)aniline
CID 176810395

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-(2-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?
The IUPAC name of N-(4-dibenzofuran-1-ylphenyl)-N-(2-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 167410792) is N-(4-dibenzofuran-1-ylphenyl)-N-(2-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.
What is the SMILES notation for N-(4-dibenzofuran-1-ylphenyl)-N-(2-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?
The canonical SMILES for N-(4-dibenzofuran-1-ylphenyl)-N-(2-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 is c1ccc(-c2ccccc2N(c2ccc(-c3cccc4oc5ccccc5c34)cc2)c2cc3cccc4c5cccc6ccc7cccc(c8cccc2c8c34)c7c65)cc1.
What is the InChIKey of N-(4-dibenzofuran-1-ylphenyl)-N-(2-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?
The InChIKey is AFAILYFHYASICN-IBWPKRNYSA-N. The full InChI is InChI=1S/C58H35NO/c1-2-13-36(14-3-1)42-18-4-6-26-50(42)59(41-33-31-37(32-34-41)43-20-12-28-53-57(43)49-19-5-7-27-52(49)60-53)51-35-40-17-10-23-45-44-21-8-15-38-29-30-39-16-9-22-46(55(39)54(38)44)47-24-11-25-48(51)58(47)56(40)45/h1-35H/b45-44-,47-46-.
What are the key properties of N-(4-dibenzofuran-1-ylphenyl)-N-(2-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?
N-(4-dibenzofuran-1-ylphenyl)-N-(2-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 has a molecular weight of 761.92 g/mol, XLogP of 16.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-1-ylphenyl)-N-(2-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 is sourced from PubChem (CID 167410792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).