27-methyl-N-naphthalen-1-yl-N-(3-phenylphenyl)hexacyclo[13.11.1.02,7.09,14.016,25.019,24]heptacosa-1(27),2,4,6,9,11,13,15,17,19(24),20,22,25-tridecaen-22-amine

C50H35N — CID 174292847

IUPAC27-methyl-N-naphthalen-1-yl-N-(3-phenylphenyl)hexacyclo[13.11.1.02,7.09,14.016,25.019,24]heptacosa-1(27),2,4,6,9,11,13,15,17,19(24),20,22,25-tridecaen-22-amine
SMILESCc1c2cc3c(ccc4ccc(N(c5cccc(-c6ccccc6)c5)c5cccc6ccccc56)cc43)c1-c1ccccc1Cc1ccccc1-2
InChIInChI=1S/C50H35N/c1-33-46-32-48-45(50(33)44-23-10-7-17-39(44)29-38-16-6-8-21-42(38)46)28-26-36-25-27-41(31-47(36)48)51(49-24-12-18-35-15-5-9-22-43(35)49)40-20-11-19-37(30-40)34-13-3-2-4-14-34/h2-28,30-32H,29H2,1H3
InChIKeyRYDKHQHLSPPNGD-UHFFFAOYSA-N
MW649.84 g/mol
LogP13.83
Rot. Bonds4

About 27-methyl-N-naphthalen-1-yl-N-(3-phenylphenyl)hexacyclo[13.11.1.02,7.09,14.016,25.019,24]heptacosa-1(27),2,4,6,9,11,13,15,17,19(24),20,22,25-tridecaen-22-amine

27-methyl-N-naphthalen-1-yl-N-(3-phenylphenyl)hexacyclo[13.11.1.02,7.09,14.016,25.019,24]heptacosa-1(27),2,4,6,9,11,13,15,17,19(24),20,22,25-tridecaen-22-amine (PubChem CID 174292847) has the molecular formula C50H35N and a molecular weight of 649.84 g/mol. Its IUPAC name is 27-methyl-N-naphthalen-1-yl-N-(3-phenylphenyl)hexacyclo[13.11.1.02,7.09,14.016,25.019,24]heptacosa-1(27),2,4,6,9,11,13,15,17,19(24),20,22,25-tridecaen-22-amine.

Molecular Properties

Compound Name27-methyl-N-naphthalen-1-yl-N-(3-phenylphenyl)hexacyclo[13.11.1.02,7.09,14.016,25.019,24]heptacosa-1(27),2,4,6,9,11,13,15,17,19(24),20,22,25-tridecaen-22-amine
PubChem CID174292847
Molecular FormulaC50H35N
Molecular Weight649.84 g/mol
Exact Mass649.28
IUPAC Name27-methyl-N-naphthalen-1-yl-N-(3-phenylphenyl)hexacyclo[13.11.1.02,7.09,14.016,25.019,24]heptacosa-1(27),2,4,6,9,11,13,15,17,19(24),20,22,25-tridecaen-22-amine
SMILESCc1c2cc3c(ccc4ccc(N(c5cccc(-c6ccccc6)c5)c5cccc6ccccc56)cc43)c1-c1ccccc1Cc1ccccc1-2
InChIInChI=1S/C50H35N/c1-33-46-32-48-45(50(33)44-23-10-7-17-39(44)29-38-16-6-8-21-42(38)46)28-26-36-25-27-41(31-47(36)48)51(49-24-12-18-35-15-5-9-22-43(35)49)40-20-11-19-37(30-40)34-13-3-2-4-14-34/h2-28,30-32H,29H2,1H3
InChIKeyRYDKHQHLSPPNGD-UHFFFAOYSA-N
XLogP13.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.84
LogP ≤ 513.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 27-methyl-N-naphthalen-1-yl-N-(3-phenylphenyl)hexacyclo[13.11.1.02,7.09,14.016,25.019,24]heptacosa-1(27),2,4,6,9,11,13,15,17,19(24),20,22,25-tridecaen-22-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(9H-fluoren-2-yl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]-9H-fluoren-2-amine;N-[4-[4-[4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]anilino]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)-9H-fluorene-2,7-diamine;1-N,1-N,4-N-triphenyl-4-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]benzene-1,4-diamine
CID 158984824
2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)-9H-fluorene-2,7-diamine
CID 58661028
N-phenanthren-3-yl-N-(3-phenylphenyl)chrysen-6-amine
CID 170135539
N-[4-(4-chrysen-6-ylphenyl)phenyl]-N-(3-phenylphenyl)-2-(4-phenylphenyl)aniline
CID 170141496
1-N,9-N-diphenyl-1-N,9-N-bis(3-phenylphenyl)chrysene-1,9-diamine
CID 170410736
N-naphthalen-1-yl-N-(3-naphthalen-1-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169063313
N-[4-[4-(N-naphthalen-1-yl-3-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)naphthalen-1-amine
CID 166859975
2-phenyl-N-(2-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;3-phenyl-N-(3-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine
CID 159522014
3-N,6-N-dinaphthalen-1-yl-3-N,6-N-diphenylchrysene-3,6-diamine
CID 170410600
N-[4-[4-[4-[4-[4-[4-(N-naphthalen-1-ylanilino)phenyl]-N-(3-phenylphenyl)anilino]phenyl]-N-(3-phenylphenyl)anilino]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 143438558
N-[3-[4-[8-[4-[3-(N-naphthalen-1-ylanilino)phenyl]phenyl]naphthalen-1-yl]phenyl]phenyl]-N-phenylnaphthalen-1-amine
CID 169016062
N,3-diphenyl-N-[4-[4-(N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;N-[4-[4-(N-naphthalen-2-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-2-amine;N-naphthalen-1-yl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]naphthalen-1-amine;3-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(3-phenylphenyl)aniline;3-phenyl-N-(3-phenylphenyl)-N-[4-[4-(3-phenyl-N-(3-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 161474409

Frequently Asked Questions

What is the IUPAC name of 27-methyl-N-naphthalen-1-yl-N-(3-phenylphenyl)hexacyclo[13.11.1.02,7.09,14.016,25.019,24]heptacosa-1(27),2,4,6,9,11,13,15,17,19(24),20,22,25-tridecaen-22-amine?
The IUPAC name of 27-methyl-N-naphthalen-1-yl-N-(3-phenylphenyl)hexacyclo[13.11.1.02,7.09,14.016,25.019,24]heptacosa-1(27),2,4,6,9,11,13,15,17,19(24),20,22,25-tridecaen-22-amine (CID 174292847) is 27-methyl-N-naphthalen-1-yl-N-(3-phenylphenyl)hexacyclo[13.11.1.02,7.09,14.016,25.019,24]heptacosa-1(27),2,4,6,9,11,13,15,17,19(24),20,22,25-tridecaen-22-amine.
What is the SMILES notation for 27-methyl-N-naphthalen-1-yl-N-(3-phenylphenyl)hexacyclo[13.11.1.02,7.09,14.016,25.019,24]heptacosa-1(27),2,4,6,9,11,13,15,17,19(24),20,22,25-tridecaen-22-amine?
The canonical SMILES for 27-methyl-N-naphthalen-1-yl-N-(3-phenylphenyl)hexacyclo[13.11.1.02,7.09,14.016,25.019,24]heptacosa-1(27),2,4,6,9,11,13,15,17,19(24),20,22,25-tridecaen-22-amine is Cc1c2cc3c(ccc4ccc(N(c5cccc(-c6ccccc6)c5)c5cccc6ccccc56)cc43)c1-c1ccccc1Cc1ccccc1-2.
What is the InChIKey of 27-methyl-N-naphthalen-1-yl-N-(3-phenylphenyl)hexacyclo[13.11.1.02,7.09,14.016,25.019,24]heptacosa-1(27),2,4,6,9,11,13,15,17,19(24),20,22,25-tridecaen-22-amine?
The InChIKey is RYDKHQHLSPPNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35N/c1-33-46-32-48-45(50(33)44-23-10-7-17-39(44)29-38-16-6-8-21-42(38)46)28-26-36-25-27-41(31-47(36)48)51(49-24-12-18-35-15-5-9-22-43(35)49)40-20-11-19-37(30-40)34-13-3-2-4-14-34/h2-28,30-32H,29H2,1H3.
What are the key properties of 27-methyl-N-naphthalen-1-yl-N-(3-phenylphenyl)hexacyclo[13.11.1.02,7.09,14.016,25.019,24]heptacosa-1(27),2,4,6,9,11,13,15,17,19(24),20,22,25-tridecaen-22-amine?
27-methyl-N-naphthalen-1-yl-N-(3-phenylphenyl)hexacyclo[13.11.1.02,7.09,14.016,25.019,24]heptacosa-1(27),2,4,6,9,11,13,15,17,19(24),20,22,25-tridecaen-22-amine has a molecular weight of 649.84 g/mol, XLogP of 13.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 27-methyl-N-naphthalen-1-yl-N-(3-phenylphenyl)hexacyclo[13.11.1.02,7.09,14.016,25.019,24]heptacosa-1(27),2,4,6,9,11,13,15,17,19(24),20,22,25-tridecaen-22-amine is sourced from PubChem (CID 174292847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).