N-(3-dibenzofuran-4-ylphenyl)-N-naphthalen-1-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

C56H33NO — CID 167412431

IUPACN-(3-dibenzofuran-4-ylphenyl)-N-naphthalen-1-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
SMILESc1cc(-c2cccc3c2oc2ccccc23)cc(N(c2cc3ccc4cccc5c6cccc7ccc8cccc(c(c2)c3c45)c8c76)c2cccc3ccccc23)c1
InChIInChI=1S/C56H33NO/c1-2-18-42-34(11-1)12-9-25-50(42)57(40-17-5-16-38(31-40)43-20-10-24-48-44-19-3-4-26-51(44)58-56(43)48)41-32-39-30-29-37-14-7-22-46-45-21-6-13-35-27-28-36-15-8-23-47(54(36)52(35)45)49(33-41)55(39)53(37)46/h1-33H/b46-45-,49-47-
InChIKeyFXHDWYKCQWYQOE-GFKNJGRBSA-N
MW735.89 g/mol
LogP16.23
Rot. Bonds4

About N-(3-dibenzofuran-4-ylphenyl)-N-naphthalen-1-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

N-(3-dibenzofuran-4-ylphenyl)-N-naphthalen-1-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 (PubChem CID 167412431) has the molecular formula C56H33NO and a molecular weight of 735.89 g/mol. Its IUPAC name is N-(3-dibenzofuran-4-ylphenyl)-N-naphthalen-1-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.

Molecular Properties

Compound NameN-(3-dibenzofuran-4-ylphenyl)-N-naphthalen-1-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
PubChem CID167412431
Molecular FormulaC56H33NO
Molecular Weight735.89 g/mol
Exact Mass735.26
IUPAC NameN-(3-dibenzofuran-4-ylphenyl)-N-naphthalen-1-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
SMILESc1cc(-c2cccc3c2oc2ccccc23)cc(N(c2cc3ccc4cccc5c6cccc7ccc8cccc(c(c2)c3c45)c8c76)c2cccc3ccccc23)c1
InChIInChI=1S/C56H33NO/c1-2-18-42-34(11-1)12-9-25-50(42)57(40-17-5-16-38(31-40)43-20-10-24-48-44-19-3-4-26-51(44)58-56(43)48)41-32-39-30-29-37-14-7-22-46-45-21-6-13-35-27-28-36-15-8-23-47(54(36)52(35)45)49(33-41)55(39)53(37)46/h1-33H/b46-45-,49-47-
InChIKeyFXHDWYKCQWYQOE-GFKNJGRBSA-N
XLogP16.23
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.89
LogP ≤ 516.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-dibenzofuran-4-ylphenyl)-N-naphthalen-1-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 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-naphthalen-1-yldibenzofuran-2-amine
CID 167413042
N-(2-dibenzofuran-4-ylphenyl)-N-(2-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 167413071
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-phenyldibenzofuran-4-amine
CID 167412634
N-(3-dibenzofuran-1-ylphenyl)-N-(4-dibenzofuran-4-ylphenyl)naphthalen-1-amine
CID 170676836
5-N-(4-dibenzofuran-4-ylphenyl)-1-N,3-N-dinaphthalen-1-yl-1-N,3-N,5-N-triphenylbenzene-1,3,5-triamine
CID 118604838
N-(4-benzo[c]phenanthren-2-ylphenyl)-N-(3-dibenzofuran-4-ylphenyl)-2-naphthalen-1-ylaniline
CID 167184408
N-(3-dibenzofuran-4-ylphenyl)-N-(3-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 155186908
2-dibenzofuran-4-yl-N-(4-dibenzofuran-4-ylphenyl)-N-[3-(2-naphthalen-1-ylphenyl)phenyl]aniline
CID 167325834
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 157079303
N-[3-[2-[dibenzofuran-4-yl(naphthalen-1-yl)amino]phenyl]phenyl]-N-naphthalen-1-yldibenzofuran-4-amine
CID 167086574
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-dibenzofuran-4-ylphenyl)-N-[4-(4-phenylphenyl)phenyl]naphthalen-1-amine
CID 59136875

Frequently Asked Questions

What is the IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-N-naphthalen-1-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?
The IUPAC name of N-(3-dibenzofuran-4-ylphenyl)-N-naphthalen-1-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 167412431) is N-(3-dibenzofuran-4-ylphenyl)-N-naphthalen-1-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.
What is the SMILES notation for N-(3-dibenzofuran-4-ylphenyl)-N-naphthalen-1-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?
The canonical SMILES for N-(3-dibenzofuran-4-ylphenyl)-N-naphthalen-1-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 is c1cc(-c2cccc3c2oc2ccccc23)cc(N(c2cc3ccc4cccc5c6cccc7ccc8cccc(c(c2)c3c45)c8c76)c2cccc3ccccc23)c1.
What is the InChIKey of N-(3-dibenzofuran-4-ylphenyl)-N-naphthalen-1-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?
The InChIKey is FXHDWYKCQWYQOE-GFKNJGRBSA-N. The full InChI is InChI=1S/C56H33NO/c1-2-18-42-34(11-1)12-9-25-50(42)57(40-17-5-16-38(31-40)43-20-10-24-48-44-19-3-4-26-51(44)58-56(43)48)41-32-39-30-29-37-14-7-22-46-45-21-6-13-35-27-28-36-15-8-23-47(54(36)52(35)45)49(33-41)55(39)53(37)46/h1-33H/b46-45-,49-47-.
What are the key properties of N-(3-dibenzofuran-4-ylphenyl)-N-naphthalen-1-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?
N-(3-dibenzofuran-4-ylphenyl)-N-naphthalen-1-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 has a molecular weight of 735.89 g/mol, XLogP of 16.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dibenzofuran-4-ylphenyl)-N-naphthalen-1-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 is sourced from PubChem (CID 167412431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).