N-(4-bromophenyl)-4-phenyl-N-(4-phenylphenyl)aniline;methane;4-phenyl-N-[4-(1-phenylcarbazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline

C79H60BrN3 — CID 158576235

IUPACN-(4-bromophenyl)-4-phenyl-N-(4-phenylphenyl)aniline;methane;4-phenyl-N-[4-(1-phenylcarbazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESBrc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)cc1.C.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-n4c5ccccc5c5cccc(-c6ccccc6)c54)cc3)cc2)cc1
InChIInChI=1S/C48H34N2.C30H22BrN.CH4/c1-4-13-35(14-5-1)37-23-27-40(28-24-37)49(41-29-25-38(26-30-41)36-15-6-2-7-16-36)42-31-33-43(34-32-42)50-47-22-11-10-19-45(47)46-21-12-20-44(48(46)50)39-17-8-3-9-18-39;31-27-15-21-30(22-16-27)32(28-17-11-25(12-18-28)23-7-3-1-4-8-23)29-19-13-26(14-20-29)24-9-5-2-6-10-24;/h1-34H;1-22H;1H4
InChIKeyHSRPAIIQBVBVKU-UHFFFAOYSA-N
MW1131.27 g/mol
LogP23.14
Rot. Bonds12

About N-(4-bromophenyl)-4-phenyl-N-(4-phenylphenyl)aniline;methane;4-phenyl-N-[4-(1-phenylcarbazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline

N-(4-bromophenyl)-4-phenyl-N-(4-phenylphenyl)aniline;methane;4-phenyl-N-[4-(1-phenylcarbazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline (PubChem CID 158576235) has the molecular formula C79H60BrN3 and a molecular weight of 1131.27 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-phenyl-N-(4-phenylphenyl)aniline;methane;4-phenyl-N-[4-(1-phenylcarbazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-phenyl-N-(4-phenylphenyl)aniline;methane;4-phenyl-N-[4-(1-phenylcarbazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline
PubChem CID158576235
Molecular FormulaC79H60BrN3
Molecular Weight1131.27 g/mol
Exact Mass1129.40
IUPAC NameN-(4-bromophenyl)-4-phenyl-N-(4-phenylphenyl)aniline;methane;4-phenyl-N-[4-(1-phenylcarbazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline
SMILESBrc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)cc1.C.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-n4c5ccccc5c5cccc(-c6ccccc6)c54)cc3)cc2)cc1
InChIInChI=1S/C48H34N2.C30H22BrN.CH4/c1-4-13-35(14-5-1)37-23-27-40(28-24-37)49(41-29-25-38(26-30-41)36-15-6-2-7-16-36)42-31-33-43(34-32-42)50-47-22-11-10-19-45(47)46-21-12-20-44(48(46)50)39-17-8-3-9-18-39;31-27-15-21-30(22-16-27)32(28-17-11-25(12-18-28)23-7-3-1-4-8-23)29-19-13-26(14-20-29)24-9-5-2-6-10-24;/h1-34H;1-22H;1H4
InChIKeyHSRPAIIQBVBVKU-UHFFFAOYSA-N
XLogP23.14
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001131.27
LogP ≤ 523.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenyl-N-[4-[4-(6-phenyl-[1]benzofuro[3,2-b]indol-10-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 118150060
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-naphthalen-1-ylphenyl)-4-(4-phenylphenyl)aniline
CID 146578337
4-(4-carbazol-9-ylphenyl)-N,N-bis[4-(8-phenylnaphthalen-1-yl)phenyl]aniline
CID 170379939
9-(4-bromophenyl)carbazole;N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]boronic acid
CID 161144938
N-[4-[4-[4-(N-(4-carbazol-9-ylphenyl)anilino)phenyl]phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 156545419
4-phenyl-N-[4-(10-phenyl-[1]benzofuro[3,2-b]indol-6-yl)phenyl]-N-(4-phenylphenyl)aniline;4-phenyl-N-[4-(10-phenyl-[1]benzofuro[3,2-b]indol-6-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]aniline
CID 158182642
9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-1-phenylcarbazole
CID 146491445
N-[3-(4-carbazol-9-ylphenyl)-5-(9-phenylcarbazol-1-yl)phenyl]-N,9-diphenylcarbazol-3-amine
CID 148828998
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-(4-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]aniline
CID 67472360
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-[4-(3-phenylphenyl)phenyl]aniline
CID 138467443
3-(8,9-diphenylcarbazol-4-yl)-N,N-bis[4-(4-phenylphenyl)phenyl]aniline
CID 166659528
N-(4-carbazol-9-ylphenyl)-2-phenyl-N-[3-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 164790763

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-phenyl-N-(4-phenylphenyl)aniline;methane;4-phenyl-N-[4-(1-phenylcarbazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline?
The IUPAC name of N-(4-bromophenyl)-4-phenyl-N-(4-phenylphenyl)aniline;methane;4-phenyl-N-[4-(1-phenylcarbazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline (CID 158576235) is N-(4-bromophenyl)-4-phenyl-N-(4-phenylphenyl)aniline;methane;4-phenyl-N-[4-(1-phenylcarbazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline.
What is the SMILES notation for N-(4-bromophenyl)-4-phenyl-N-(4-phenylphenyl)aniline;methane;4-phenyl-N-[4-(1-phenylcarbazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline?
The canonical SMILES for N-(4-bromophenyl)-4-phenyl-N-(4-phenylphenyl)aniline;methane;4-phenyl-N-[4-(1-phenylcarbazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline is Brc1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)cc1.C.c1ccc(-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-n4c5ccccc5c5cccc(-c6ccccc6)c54)cc3)cc2)cc1.
What is the InChIKey of N-(4-bromophenyl)-4-phenyl-N-(4-phenylphenyl)aniline;methane;4-phenyl-N-[4-(1-phenylcarbazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline?
The InChIKey is HSRPAIIQBVBVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H34N2.C30H22BrN.CH4/c1-4-13-35(14-5-1)37-23-27-40(28-24-37)49(41-29-25-38(26-30-41)36-15-6-2-7-16-36)42-31-33-43(34-32-42)50-47-22-11-10-19-45(47)46-21-12-20-44(48(46)50)39-17-8-3-9-18-39;31-27-15-21-30(22-16-27)32(28-17-11-25(12-18-28)23-7-3-1-4-8-23)29-19-13-26(14-20-29)24-9-5-2-6-10-24;/h1-34H;1-22H;1H4.
What are the key properties of N-(4-bromophenyl)-4-phenyl-N-(4-phenylphenyl)aniline;methane;4-phenyl-N-[4-(1-phenylcarbazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline?
N-(4-bromophenyl)-4-phenyl-N-(4-phenylphenyl)aniline;methane;4-phenyl-N-[4-(1-phenylcarbazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline has a molecular weight of 1131.27 g/mol, XLogP of 23.14, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-4-phenyl-N-(4-phenylphenyl)aniline;methane;4-phenyl-N-[4-(1-phenylcarbazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline is sourced from PubChem (CID 158576235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).