N-[4-(1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

C50H36N2 — CID 169006702

IUPACN-[4-(1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc5c6c(c4)-c4ccccc4CN6Cc4ccccc4-5)cc3)cc2)cc1
InChIInChI=1S/C50H36N2/c1-3-11-35(12-4-1)37-19-25-43(26-20-37)52(44-27-21-38(22-28-44)36-13-5-2-6-14-36)45-29-23-39(24-30-45)42-31-48-46-17-9-7-15-40(46)33-51-34-41-16-8-10-18-47(41)49(32-42)50(48)51/h1-32H,33-34H2
InChIKeyOUJBJTHHZKDQMC-UHFFFAOYSA-N
MW664.85 g/mol
LogP13.32
Rot. Bonds6

About N-[4-(1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline

N-[4-(1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (PubChem CID 169006702) has the molecular formula C50H36N2 and a molecular weight of 664.85 g/mol. Its IUPAC name is N-[4-(1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-[4-(1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
PubChem CID169006702
Molecular FormulaC50H36N2
Molecular Weight664.85 g/mol
Exact Mass664.29
IUPAC NameN-[4-(1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
SMILESc1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc5c6c(c4)-c4ccccc4CN6Cc4ccccc4-5)cc3)cc2)cc1
InChIInChI=1S/C50H36N2/c1-3-11-35(12-4-1)37-19-25-43(26-20-37)52(44-27-21-38(22-28-44)36-13-5-2-6-14-36)45-29-23-39(24-30-45)42-31-48-46-17-9-7-15-40(46)33-51-34-41-16-8-10-18-47(41)49(32-42)50(48)51/h1-32H,33-34H2
InChIKeyOUJBJTHHZKDQMC-UHFFFAOYSA-N
XLogP13.32
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.85
LogP ≤ 513.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-[4-(1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline with MolForge

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Related Compounds

4-(9H-fluoren-3-yl)-N,N-diphenylaniline
CID 157436916
2,4,6-triphenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(2,4,6-triphenylphenyl)anilino)phenyl]phenyl]aniline
CID 90132240
3-(9H-fluoren-2-yl)-N,N-bis(4-phenylphenyl)aniline
CID 146386867
N-[4-[2-(3,5-diphenylphenyl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 146665575
N,2,4,6-tetraphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254099
N,N-diphenyl-4-[3-phenyl-5-[4-(N-phenylanilino)phenyl]phenyl]aniline
CID 121368277
4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 146665483
N,N-bis(4-phenylphenyl)-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-5-amine
CID 123485955
4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 58876469
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
4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]aniline;4-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]anilino]phenyl]phenyl]phenyl]aniline
CID 159709491
1-N,1-N,4-N-tris(4-phenylphenyl)-4-N-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]benzene-1,4-diamine
CID 89266505

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The IUPAC name of N-[4-(1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline (CID 169006702) is N-[4-(1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-[4-(1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-[4-(1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4cc5c6c(c4)-c4ccccc4CN6Cc4ccccc4-5)cc3)cc2)cc1.
What is the InChIKey of N-[4-(1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
The InChIKey is OUJBJTHHZKDQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36N2/c1-3-11-35(12-4-1)37-19-25-43(26-20-37)52(44-27-21-38(22-28-44)36-13-5-2-6-14-36)45-29-23-39(24-30-45)42-31-48-46-17-9-7-15-40(46)33-51-34-41-16-8-10-18-47(41)49(32-42)50(48)51/h1-32H,33-34H2.
What are the key properties of N-[4-(1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline?
N-[4-(1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline has a molecular weight of 664.85 g/mol, XLogP of 13.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9,11,13(21),14,16,18-nonaen-11-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 169006702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).