N-[4-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]phenyl]-3-methyl-N-(3-methylphenyl)aniline;N-[4-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline

C100H74N6 — CID 159634715

IUPACN-[4-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]phenyl]-3-methyl-N-(3-methylphenyl)aniline;N-[4-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc2)cc1.Cc1cccc(N(c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc2)c2cccc(C)c2)c1
InChIInChI=1S/2C50H37N3/c1-34-12-9-14-39(30-34)51(40-15-10-13-35(2)31-40)38-27-24-36(25-28-38)37-26-29-50-46(32-37)45-20-5-8-23-49(45)53(50)42-17-11-16-41(33-42)52-47-21-6-3-18-43(47)44-19-4-7-22-48(44)52;1-34-18-25-38(26-19-34)51(39-27-20-35(2)21-28-39)40-29-22-36(23-30-40)37-24-31-50-46(32-37)45-14-5-8-17-49(45)53(50)42-11-9-10-41(33-42)52-47-15-6-3-12-43(47)44-13-4-7-16-48(44)52/h2*3-33H,1-2H3
InChIKeyMPOXFOLEESXVSI-UHFFFAOYSA-N
MW1359.73 g/mol
LogP27.27
Rot. Bonds12

About N-[4-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]phenyl]-3-methyl-N-(3-methylphenyl)aniline;N-[4-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline

N-[4-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]phenyl]-3-methyl-N-(3-methylphenyl)aniline;N-[4-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline (PubChem CID 159634715) has the molecular formula C100H74N6 and a molecular weight of 1359.73 g/mol. Its IUPAC name is N-[4-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]phenyl]-3-methyl-N-(3-methylphenyl)aniline;N-[4-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline.

Molecular Properties

Compound NameN-[4-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]phenyl]-3-methyl-N-(3-methylphenyl)aniline;N-[4-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
PubChem CID159634715
Molecular FormulaC100H74N6
Molecular Weight1359.73 g/mol
Exact Mass1358.60
IUPAC NameN-[4-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]phenyl]-3-methyl-N-(3-methylphenyl)aniline;N-[4-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc2)cc1.Cc1cccc(N(c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc2)c2cccc(C)c2)c1
InChIInChI=1S/2C50H37N3/c1-34-12-9-14-39(30-34)51(40-15-10-13-35(2)31-40)38-27-24-36(25-28-38)37-26-29-50-46(32-37)45-20-5-8-23-49(45)53(50)42-17-11-16-41(33-42)52-47-21-6-3-18-43(47)44-19-4-7-22-48(44)52;1-34-18-25-38(26-19-34)51(39-27-20-35(2)21-28-39)40-29-22-36(23-30-40)37-24-31-50-46(32-37)45-14-5-8-17-49(45)53(50)42-11-9-10-41(33-42)52-47-15-6-3-12-43(47)44-13-4-7-16-48(44)52/h2*3-33H,1-2H3
InChIKeyMPOXFOLEESXVSI-UHFFFAOYSA-N
XLogP27.27
TPSA26.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001359.73
LogP ≤ 527.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[4-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]phenyl]-3-methyl-N-(3-methylphenyl)aniline;N-[4-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline with MolForge

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Related Compounds

N,N-bis(4-methylphenyl)-3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]aniline;N,N-diphenyl-3-[9-phenyl-6-(9-phenylcarbazol-3-yl)carbazol-3-yl]aniline;4-[6-(6-methyl-9-phenylcarbazol-3-yl)-9-phenylcarbazol-3-yl]-N,N-diphenylaniline
CID 159011512
9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;4-N-(3-methylphenyl)-1-N,1-N-bis[4-(N-(3-methylphenyl)anilino)phenyl]-4-N-phenylbenzene-1,4-diamine
CID 159948060
N-[4-(3-carbazol-9-ylphenyl)phenyl]-4-(4-methylphenyl)-N-[4-(4-methylphenyl)phenyl]aniline
CID 122659667
3-methyl-N-phenyl-N-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]aniline
CID 59307122
1-N,1-N-diphenyl-3-N-[3-(N-phenylanilino)phenyl]-3-N-[4-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
CID 177275836
4-N-[3-[3,5-bis(9-phenylcarbazol-3-yl)phenyl]phenyl]-1-N,1-N,4-N-triphenylbenzene-1,4-diamine;1-N,1-N,3-N,3-N-tetrakis(4-methylphenyl)-5-[3-phenyl-5-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]phenyl]benzene-1,3-diamine;1-N,1-N,3-N,3-N-tetraphenyl-5-[3-phenyl-5-(9-phenylcarbazol-3-yl)phenyl]benzene-1,3-diamine
CID 162228540
N-[4-[3-carbazol-9-yl-6-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]carbazol-9-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 156545359
N,N-bis[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylaniline;3,6-bis[4-(3,6-dimethylcarbazol-9-yl)phenyl]-9-(4-phenylphenyl)carbazole
CID 159617132
3-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-(3-phenylphenyl)phenyl]aniline
CID 161050252
N-(4-methylphenyl)-N,9-diphenylcarbazol-3-amine
CID 90181897
N-(4-carbazol-9-ylphenyl)-3-methyl-N-phenylaniline
CID 100915201
6-[3-[3-methyl-5-(4-phenyl-N-(9-phenylcarbazol-3-yl)anilino)phenyl]phenyl]-N,9-diphenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 163787508

Frequently Asked Questions

What is the IUPAC name of N-[4-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]phenyl]-3-methyl-N-(3-methylphenyl)aniline;N-[4-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The IUPAC name of N-[4-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]phenyl]-3-methyl-N-(3-methylphenyl)aniline;N-[4-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline (CID 159634715) is N-[4-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]phenyl]-3-methyl-N-(3-methylphenyl)aniline;N-[4-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline.
What is the SMILES notation for N-[4-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]phenyl]-3-methyl-N-(3-methylphenyl)aniline;N-[4-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The canonical SMILES for N-[4-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]phenyl]-3-methyl-N-(3-methylphenyl)aniline;N-[4-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline is Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc2)cc1.Cc1cccc(N(c2ccc(-c3ccc4c(c3)c3ccccc3n4-c3cccc(-n4c5ccccc5c5ccccc54)c3)cc2)c2cccc(C)c2)c1.
What is the InChIKey of N-[4-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]phenyl]-3-methyl-N-(3-methylphenyl)aniline;N-[4-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
The InChIKey is MPOXFOLEESXVSI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C50H37N3/c1-34-12-9-14-39(30-34)51(40-15-10-13-35(2)31-40)38-27-24-36(25-28-38)37-26-29-50-46(32-37)45-20-5-8-23-49(45)53(50)42-17-11-16-41(33-42)52-47-21-6-3-18-43(47)44-19-4-7-22-48(44)52;1-34-18-25-38(26-19-34)51(39-27-20-35(2)21-28-39)40-29-22-36(23-30-40)37-24-31-50-46(32-37)45-14-5-8-17-49(45)53(50)42-11-9-10-41(33-42)52-47-15-6-3-12-43(47)44-13-4-7-16-48(44)52/h2*3-33H,1-2H3.
What are the key properties of N-[4-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]phenyl]-3-methyl-N-(3-methylphenyl)aniline;N-[4-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline?
N-[4-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]phenyl]-3-methyl-N-(3-methylphenyl)aniline;N-[4-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline has a molecular weight of 1359.73 g/mol, XLogP of 27.27, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]phenyl]-3-methyl-N-(3-methylphenyl)aniline;N-[4-[9-(3-carbazol-9-ylphenyl)carbazol-3-yl]phenyl]-4-methyl-N-(4-methylphenyl)aniline is sourced from PubChem (CID 159634715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).