N-(4-naphthalen-2-ylphenyl)-15-phenyl-N-(4-phenylphenyl)heptacyclo[13.10.2.02,7.08,27.09,14.016,21.022,26]heptacosa-1(26),2,4,6,8(27),9,11,13,17,19,22,24-dodecaen-24-amine

C61H41N — CID 155416718

IUPACN-(4-naphthalen-2-ylphenyl)-15-phenyl-N-(4-phenylphenyl)heptacyclo[13.10.2.02,7.08,27.09,14.016,21.022,26]heptacosa-1(26),2,4,6,8(27),9,11,13,17,19,22,24-dodecaen-24-amine
SMILESC1=CC2c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc6ccccc6c5)cc4)cc4c3c3c(c5ccccc54)-c4ccccc4C3(c3ccccc3)C2C=C1
InChIInChI=1S/C61H41N/c1-3-15-40(16-4-1)42-29-33-47(34-30-42)62(48-35-31-43(32-36-48)45-28-27-41-17-7-8-18-44(41)37-45)49-38-54-50-21-9-10-23-52(50)58-53-24-12-14-26-57(53)61(46-19-5-2-6-20-46)56-25-13-11-22-51(56)55(39-49)59(54)60(58)61/h1-39,51,56H
InChIKeyBDUDSWQHCOJWBU-UHFFFAOYSA-N
MW788.01 g/mol
LogP16.10
Rot. Bonds6

About N-(4-naphthalen-2-ylphenyl)-15-phenyl-N-(4-phenylphenyl)heptacyclo[13.10.2.02,7.08,27.09,14.016,21.022,26]heptacosa-1(26),2,4,6,8(27),9,11,13,17,19,22,24-dodecaen-24-amine

N-(4-naphthalen-2-ylphenyl)-15-phenyl-N-(4-phenylphenyl)heptacyclo[13.10.2.02,7.08,27.09,14.016,21.022,26]heptacosa-1(26),2,4,6,8(27),9,11,13,17,19,22,24-dodecaen-24-amine (PubChem CID 155416718) has the molecular formula C61H41N and a molecular weight of 788.01 g/mol. Its IUPAC name is N-(4-naphthalen-2-ylphenyl)-15-phenyl-N-(4-phenylphenyl)heptacyclo[13.10.2.02,7.08,27.09,14.016,21.022,26]heptacosa-1(26),2,4,6,8(27),9,11,13,17,19,22,24-dodecaen-24-amine.

Molecular Properties

Compound NameN-(4-naphthalen-2-ylphenyl)-15-phenyl-N-(4-phenylphenyl)heptacyclo[13.10.2.02,7.08,27.09,14.016,21.022,26]heptacosa-1(26),2,4,6,8(27),9,11,13,17,19,22,24-dodecaen-24-amine
PubChem CID155416718
Molecular FormulaC61H41N
Molecular Weight788.01 g/mol
Exact Mass787.32
IUPAC NameN-(4-naphthalen-2-ylphenyl)-15-phenyl-N-(4-phenylphenyl)heptacyclo[13.10.2.02,7.08,27.09,14.016,21.022,26]heptacosa-1(26),2,4,6,8(27),9,11,13,17,19,22,24-dodecaen-24-amine
SMILESC1=CC2c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc6ccccc6c5)cc4)cc4c3c3c(c5ccccc54)-c4ccccc4C3(c3ccccc3)C2C=C1
InChIInChI=1S/C61H41N/c1-3-15-40(16-4-1)42-29-33-47(34-30-42)62(48-35-31-43(32-36-48)45-28-27-41-17-7-8-18-44(41)37-45)49-38-54-50-21-9-10-23-52(50)58-53-24-12-14-26-57(53)61(46-19-5-2-6-20-46)56-25-13-11-22-51(56)55(39-49)59(54)60(58)61/h1-39,51,56H
InChIKeyBDUDSWQHCOJWBU-UHFFFAOYSA-N
XLogP16.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.01
LogP ≤ 516.10
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-2-ylphenyl)-15-phenyl-N-(4-phenylphenyl)heptacyclo[13.10.2.02,7.08,27.09,14.016,21.022,26]heptacosa-1(26),2,4,6,8(27),9,11,13,17,19,22,24-dodecaen-24-amine with MolForge

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Related Compounds

N-[4-[3-(9H-carbazol-3-yl)phenyl]phenyl]-N-naphthalen-2-yl-9,9-diphenyl-4b,8a-dihydrofluoren-2-amine
CID 144640230
2-N-[4-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)phenyl]-6-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,10-dinaphthalen-2-yl-2-N,6-N-diphenylanthracene-2,6-diamine
CID 89152127
N-(4-naphthalen-2-ylphenyl)-N-[4-(4-phenylphenyl)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 167411387
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N,4-bis(4-naphthalen-2-ylphenyl)aniline
CID 169019866
3-N',6-N,6-N-triphenyl-3-N'-spiro[4a,9a-dihydrofluorene-9,9'-fluorene]-3'-ylspiro[benzo[c]fluorene-7,9'-fluorene]-3',6-diamine
CID 168775478
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)spiro[4b,8a-dihydrofluorene-9,9'-fluorene]-3-amine
CID 174252364
N,N-bis(4-naphthalen-2-ylphenyl)-9,10-diphenylphenanthren-2-amine
CID 169062685
N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-N-[3-(4-naphthalen-2-ylphenyl)phenyl]-3-(4-phenylphenyl)aniline
CID 169020035
N-(4-naphthalen-1-ylphenyl)-N-[4-[10-[3-[4-(4-naphthalen-2-yl-N-[4-(10-phenylphenanthren-9-yl)phenyl]anilino)phenyl]phenyl]phenanthren-9-yl]phenyl]-4-phenylaniline
CID 155305413
N-[4-(4-naphthalen-1-ylphenyl)phenyl]-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169020362
1-N,3-N-bis(4-naphthalen-2-ylphenyl)-1-N,3-N-bis(4-phenylphenyl)-5-(9,9'-spirobi[fluorene]-4'-yl)benzene-1,3-diamine
CID 121361321
N-(4-naphthalen-2-ylphenyl)-N-[3-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 169019576

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-2-ylphenyl)-15-phenyl-N-(4-phenylphenyl)heptacyclo[13.10.2.02,7.08,27.09,14.016,21.022,26]heptacosa-1(26),2,4,6,8(27),9,11,13,17,19,22,24-dodecaen-24-amine?
The IUPAC name of N-(4-naphthalen-2-ylphenyl)-15-phenyl-N-(4-phenylphenyl)heptacyclo[13.10.2.02,7.08,27.09,14.016,21.022,26]heptacosa-1(26),2,4,6,8(27),9,11,13,17,19,22,24-dodecaen-24-amine (CID 155416718) is N-(4-naphthalen-2-ylphenyl)-15-phenyl-N-(4-phenylphenyl)heptacyclo[13.10.2.02,7.08,27.09,14.016,21.022,26]heptacosa-1(26),2,4,6,8(27),9,11,13,17,19,22,24-dodecaen-24-amine.
What is the SMILES notation for N-(4-naphthalen-2-ylphenyl)-15-phenyl-N-(4-phenylphenyl)heptacyclo[13.10.2.02,7.08,27.09,14.016,21.022,26]heptacosa-1(26),2,4,6,8(27),9,11,13,17,19,22,24-dodecaen-24-amine?
The canonical SMILES for N-(4-naphthalen-2-ylphenyl)-15-phenyl-N-(4-phenylphenyl)heptacyclo[13.10.2.02,7.08,27.09,14.016,21.022,26]heptacosa-1(26),2,4,6,8(27),9,11,13,17,19,22,24-dodecaen-24-amine is C1=CC2c3cc(N(c4ccc(-c5ccccc5)cc4)c4ccc(-c5ccc6ccccc6c5)cc4)cc4c3c3c(c5ccccc54)-c4ccccc4C3(c3ccccc3)C2C=C1.
What is the InChIKey of N-(4-naphthalen-2-ylphenyl)-15-phenyl-N-(4-phenylphenyl)heptacyclo[13.10.2.02,7.08,27.09,14.016,21.022,26]heptacosa-1(26),2,4,6,8(27),9,11,13,17,19,22,24-dodecaen-24-amine?
The InChIKey is BDUDSWQHCOJWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41N/c1-3-15-40(16-4-1)42-29-33-47(34-30-42)62(48-35-31-43(32-36-48)45-28-27-41-17-7-8-18-44(41)37-45)49-38-54-50-21-9-10-23-52(50)58-53-24-12-14-26-57(53)61(46-19-5-2-6-20-46)56-25-13-11-22-51(56)55(39-49)59(54)60(58)61/h1-39,51,56H.
What are the key properties of N-(4-naphthalen-2-ylphenyl)-15-phenyl-N-(4-phenylphenyl)heptacyclo[13.10.2.02,7.08,27.09,14.016,21.022,26]heptacosa-1(26),2,4,6,8(27),9,11,13,17,19,22,24-dodecaen-24-amine?
N-(4-naphthalen-2-ylphenyl)-15-phenyl-N-(4-phenylphenyl)heptacyclo[13.10.2.02,7.08,27.09,14.016,21.022,26]heptacosa-1(26),2,4,6,8(27),9,11,13,17,19,22,24-dodecaen-24-amine has a molecular weight of 788.01 g/mol, XLogP of 16.10, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-2-ylphenyl)-15-phenyl-N-(4-phenylphenyl)heptacyclo[13.10.2.02,7.08,27.09,14.016,21.022,26]heptacosa-1(26),2,4,6,8(27),9,11,13,17,19,22,24-dodecaen-24-amine is sourced from PubChem (CID 155416718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).