N-[4-(12-heptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2,4,6,8,11,13,17,19(27),20,22,24-dodecaenyl)phenyl]-N,4-diphenylaniline

C51H35N — CID 142377962

IUPACN-[4-(12-heptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2,4,6,8,11,13,17,19(27),20,22,24-dodecaenyl)phenyl]-N,4-diphenylaniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cc5c(c6c4Cc4ccccc4-6)-c4c(ccc6c4Cc4ccccc4-6)C5)cc3)cc2)cc1
InChIInChI=1S/C51H35N/c1-3-11-33(12-4-1)34-19-24-41(25-20-34)52(40-15-5-2-6-16-40)42-26-21-35(22-27-42)46-32-39-29-38-23-28-45-43-17-9-7-13-36(43)30-47(45)49(38)50(39)51-44-18-10-8-14-37(44)31-48(46)51/h1-28,32H,29-31H2
InChIKeyLJJGSWPAUIJOTG-UHFFFAOYSA-N
MW661.85 g/mol
LogP13.20
Rot. Bonds5

About N-[4-(12-heptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2,4,6,8,11,13,17,19(27),20,22,24-dodecaenyl)phenyl]-N,4-diphenylaniline

N-[4-(12-heptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2,4,6,8,11,13,17,19(27),20,22,24-dodecaenyl)phenyl]-N,4-diphenylaniline (PubChem CID 142377962) has the molecular formula C51H35N and a molecular weight of 661.85 g/mol. Its IUPAC name is N-[4-(12-heptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2,4,6,8,11,13,17,19(27),20,22,24-dodecaenyl)phenyl]-N,4-diphenylaniline.

Molecular Properties

Compound NameN-[4-(12-heptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2,4,6,8,11,13,17,19(27),20,22,24-dodecaenyl)phenyl]-N,4-diphenylaniline
PubChem CID142377962
Molecular FormulaC51H35N
Molecular Weight661.85 g/mol
Exact Mass661.28
IUPAC NameN-[4-(12-heptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2,4,6,8,11,13,17,19(27),20,22,24-dodecaenyl)phenyl]-N,4-diphenylaniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cc5c(c6c4Cc4ccccc4-6)-c4c(ccc6c4Cc4ccccc4-6)C5)cc3)cc2)cc1
InChIInChI=1S/C51H35N/c1-3-11-33(12-4-1)34-19-24-41(25-20-34)52(40-15-5-2-6-16-40)42-26-21-35(22-27-42)46-32-39-29-38-23-28-45-43-17-9-7-13-36(43)30-47(45)49(38)50(39)51-44-18-10-8-14-37(44)31-48(46)51/h1-28,32H,29-31H2
InChIKeyLJJGSWPAUIJOTG-UHFFFAOYSA-N
XLogP13.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.85
LogP ≤ 513.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[4-(12-heptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2,4,6,8,11,13,17,19(27),20,22,24-dodecaenyl)phenyl]-N,4-diphenylaniline 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-[4-(9H-fluoren-1-yl)phenyl]-4-[4-(N-[4-(9H-fluoren-1-yl)phenyl]anilino)phenyl]-N-phenylaniline
CID 157272103
4-(9H-fluoren-1-yl)-3-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]aniline
CID 134320795
3-(9H-fluoren-2-yl)-N,N-bis(4-phenylphenyl)aniline
CID 146386867
N-phenyl-N-[2-(4-phenylphenyl)phenyl]pentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-6-amine
CID 142377963
4-(9H-fluoren-3-yl)-N,N-diphenylaniline
CID 157436916
N,N-diphenyl-4-(6-phenyl-9H-fluoren-3-yl)aniline;N,N-diphenyl-4-[6-(2-phenylphenyl)-9H-fluoren-3-yl]aniline;N,N-diphenyl-4-[6-(3-phenylphenyl)-9H-fluoren-3-yl]aniline;4-(9H-fluoren-3-yl)-N,N-diphenylaniline
CID 161002585
N,N-diphenyl-9H-fluoren-2-amine
CID 20734444
N,N-diphenyl-4-(6-phenyl-9H-fluoren-3-yl)aniline
CID 158121495
9,9-dimethyl-N-[4-(3-pentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2(7),3,5,9,11,13,15,17,19,22,24-dodecaenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 166881122
7-(9H-fluoren-1-yl)-N-[7-(9H-fluoren-1-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 145298640
N-[4-[4-[N-(12H-fluoreno[2,1-b][1]benzothiol-2-yl)anilino]phenyl]phenyl]-N-phenyl-12H-fluoreno[2,1-b][1]benzothiol-2-amine
CID 154624006
N,N-bis(4-methylphenyl)-6,12-dihydroindeno[1,2-b]fluoren-2-amine
CID 71099967

Frequently Asked Questions

What is the IUPAC name of N-[4-(12-heptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2,4,6,8,11,13,17,19(27),20,22,24-dodecaenyl)phenyl]-N,4-diphenylaniline?
The IUPAC name of N-[4-(12-heptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2,4,6,8,11,13,17,19(27),20,22,24-dodecaenyl)phenyl]-N,4-diphenylaniline (CID 142377962) is N-[4-(12-heptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2,4,6,8,11,13,17,19(27),20,22,24-dodecaenyl)phenyl]-N,4-diphenylaniline.
What is the SMILES notation for N-[4-(12-heptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2,4,6,8,11,13,17,19(27),20,22,24-dodecaenyl)phenyl]-N,4-diphenylaniline?
The canonical SMILES for N-[4-(12-heptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2,4,6,8,11,13,17,19(27),20,22,24-dodecaenyl)phenyl]-N,4-diphenylaniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4cc5c(c6c4Cc4ccccc4-6)-c4c(ccc6c4Cc4ccccc4-6)C5)cc3)cc2)cc1.
What is the InChIKey of N-[4-(12-heptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2,4,6,8,11,13,17,19(27),20,22,24-dodecaenyl)phenyl]-N,4-diphenylaniline?
The InChIKey is LJJGSWPAUIJOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H35N/c1-3-11-33(12-4-1)34-19-24-41(25-20-34)52(40-15-5-2-6-16-40)42-26-21-35(22-27-42)46-32-39-29-38-23-28-45-43-17-9-7-13-36(43)30-47(45)49(38)50(39)51-44-18-10-8-14-37(44)31-48(46)51/h1-28,32H,29-31H2.
What are the key properties of N-[4-(12-heptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2,4,6,8,11,13,17,19(27),20,22,24-dodecaenyl)phenyl]-N,4-diphenylaniline?
N-[4-(12-heptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2,4,6,8,11,13,17,19(27),20,22,24-dodecaenyl)phenyl]-N,4-diphenylaniline has a molecular weight of 661.85 g/mol, XLogP of 13.20, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(12-heptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2,4,6,8,11,13,17,19(27),20,22,24-dodecaenyl)phenyl]-N,4-diphenylaniline is sourced from PubChem (CID 142377962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).