4-(3,6-diethylcarbazol-9-yl)-N-methyl-N-phenylaniline;4-[3,6-di(propan-2-yl)carbazol-9-yl]-N-methyl-N-phenylaniline;4-(3,6-dipropylcarbazol-9-yl)-N-methyl-N-phenylaniline

C91H92N6 — CID 157255945

IUPAC4-(3,6-diethylcarbazol-9-yl)-N-methyl-N-phenylaniline;4-[3,6-di(propan-2-yl)carbazol-9-yl]-N-methyl-N-phenylaniline;4-(3,6-dipropylcarbazol-9-yl)-N-methyl-N-phenylaniline
SMILESCC(C)c1ccc2c(c1)c1cc(C(C)C)ccc1n2-c1ccc(N(C)c2ccccc2)cc1.CCCc1ccc2c(c1)c1cc(CCC)ccc1n2-c1ccc(N(C)c2ccccc2)cc1.CCc1ccc2c(c1)c1cc(CC)ccc1n2-c1ccc(N(C)c2ccccc2)cc1
InChIInChI=1S/2C31H32N2.C29H28N2/c1-21(2)23-11-17-30-28(19-23)29-20-24(22(3)4)12-18-31(29)33(30)27-15-13-26(14-16-27)32(5)25-9-7-6-8-10-25;1-4-9-23-13-19-30-28(21-23)29-22-24(10-5-2)14-20-31(29)33(30)27-17-15-26(16-18-27)32(3)25-11-7-6-8-12-25;1-4-21-11-17-28-26(19-21)27-20-22(5-2)12-18-29(27)31(28)25-15-13-24(14-16-25)30(3)23-9-7-6-8-10-23/h6-22H,1-5H3;6-8,11-22H,4-5,9-10H2,1-3H3;6-20H,4-5H2,1-3H3
InChIKeyAWWWROFVDGCLSW-UHFFFAOYSA-N
MW1269.78 g/mol
LogP24.93
Rot. Bonds17

About 4-(3,6-diethylcarbazol-9-yl)-N-methyl-N-phenylaniline;4-[3,6-di(propan-2-yl)carbazol-9-yl]-N-methyl-N-phenylaniline;4-(3,6-dipropylcarbazol-9-yl)-N-methyl-N-phenylaniline

4-(3,6-diethylcarbazol-9-yl)-N-methyl-N-phenylaniline;4-[3,6-di(propan-2-yl)carbazol-9-yl]-N-methyl-N-phenylaniline;4-(3,6-dipropylcarbazol-9-yl)-N-methyl-N-phenylaniline (PubChem CID 157255945) has the molecular formula C91H92N6 and a molecular weight of 1269.78 g/mol. Its IUPAC name is 4-(3,6-diethylcarbazol-9-yl)-N-methyl-N-phenylaniline;4-[3,6-di(propan-2-yl)carbazol-9-yl]-N-methyl-N-phenylaniline;4-(3,6-dipropylcarbazol-9-yl)-N-methyl-N-phenylaniline.

Molecular Properties

Compound Name4-(3,6-diethylcarbazol-9-yl)-N-methyl-N-phenylaniline;4-[3,6-di(propan-2-yl)carbazol-9-yl]-N-methyl-N-phenylaniline;4-(3,6-dipropylcarbazol-9-yl)-N-methyl-N-phenylaniline
PubChem CID157255945
Molecular FormulaC91H92N6
Molecular Weight1269.78 g/mol
Exact Mass1268.74
IUPAC Name4-(3,6-diethylcarbazol-9-yl)-N-methyl-N-phenylaniline;4-[3,6-di(propan-2-yl)carbazol-9-yl]-N-methyl-N-phenylaniline;4-(3,6-dipropylcarbazol-9-yl)-N-methyl-N-phenylaniline
SMILESCC(C)c1ccc2c(c1)c1cc(C(C)C)ccc1n2-c1ccc(N(C)c2ccccc2)cc1.CCCc1ccc2c(c1)c1cc(CCC)ccc1n2-c1ccc(N(C)c2ccccc2)cc1.CCc1ccc2c(c1)c1cc(CC)ccc1n2-c1ccc(N(C)c2ccccc2)cc1
InChIInChI=1S/2C31H32N2.C29H28N2/c1-21(2)23-11-17-30-28(19-23)29-20-24(22(3)4)12-18-31(29)33(30)27-15-13-26(14-16-27)32(5)25-9-7-6-8-10-25;1-4-9-23-13-19-30-28(21-23)29-22-24(10-5-2)14-20-31(29)33(30)27-17-15-26(16-18-27)32(3)25-11-7-6-8-12-25;1-4-21-11-17-28-26(19-21)27-20-22(5-2)12-18-29(27)31(28)25-15-13-24(14-16-25)30(3)23-9-7-6-8-10-23/h6-22H,1-5H3;6-8,11-22H,4-5,9-10H2,1-3H3;6-20H,4-5H2,1-3H3
InChIKeyAWWWROFVDGCLSW-UHFFFAOYSA-N
XLogP24.93
TPSA24.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds17
Heavy Atoms97
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001269.78
LogP ≤ 524.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-butan-2-yl-6-ethylcarbazol-9-yl)-N-methyl-N-phenylaniline
CID 70858265
4-[3-ethyl-6-(3-methylbutyl)carbazol-9-yl]-N-methyl-N-phenylaniline
CID 163723844
4-(3-butan-2-yl-6-propan-2-ylcarbazol-9-yl)-N-methyl-N-phenylaniline
CID 70858222
4-[3,6-bis(2-methylpropyl)carbazol-9-yl]-N-methyl-N-phenylaniline;4-(3,6-ditert-butylcarbazol-9-yl)-N-methyl-N-phenylaniline;4-(3,6-dipropylcarbazol-9-yl)-N-methyl-N-phenylaniline
CID 161364228
3-butyl-6-(4-carbazol-9-ylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-(4-carbazol-9-ylphenyl)-6-ethyl-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole;3-(4-carbazol-9-ylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-propan-2-ylcarbazole;3-(4-carbazol-9-ylphenyl)-9-[4-(10-phenylanthracen-9-yl)phenyl]-6-propylcarbazole
CID 158305492
9-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-3-ethyl-6-propan-2-ylcarbazole
CID 71050650
4-[3,6-bis(2-methylpropyl)carbazol-9-yl]-N-methyl-N-phenylaniline;4-(3,6-ditert-butylcarbazol-9-yl)-N-methyl-N-phenylaniline
CID 157060893
3-ethyl-9-[4-[9-[4-(10-phenylanthracen-9-yl)phenyl]carbazol-3-yl]phenyl]-6-propylcarbazole
CID 147345719
4-(9,10-diphenylanthracen-2-yl)-N-[4-[3-(2-methylpropyl)-6-propylcarbazol-9-yl]phenyl]-N-phenylaniline
CID 163570430
9-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]-3,6-dipropylcarbazole
CID 59844968
2-[4-[2-[2-[4-[3,6-di(butan-2-yl)carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[4-[2-[2-[4-(3,6-dibutylcarbazol-9-yl)phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[4-[2-[2-[4-(3,6-ditert-butylcarbazol-9-yl)phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[4-[2-[2-[4-(3,6-diethylcarbazol-9-yl)phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[4-[2-[2-[4-[3,6-di(propan-2-yl)carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole;2-[4-[2-[2-[4-(3,6-dipropylcarbazol-9-yl)phenyl]phenyl]phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 161304769
9-(4-methoxyphenyl)-3,6-dipropylcarbazole
CID 154963806

Frequently Asked Questions

What is the IUPAC name of 4-(3,6-diethylcarbazol-9-yl)-N-methyl-N-phenylaniline;4-[3,6-di(propan-2-yl)carbazol-9-yl]-N-methyl-N-phenylaniline;4-(3,6-dipropylcarbazol-9-yl)-N-methyl-N-phenylaniline?
The IUPAC name of 4-(3,6-diethylcarbazol-9-yl)-N-methyl-N-phenylaniline;4-[3,6-di(propan-2-yl)carbazol-9-yl]-N-methyl-N-phenylaniline;4-(3,6-dipropylcarbazol-9-yl)-N-methyl-N-phenylaniline (CID 157255945) is 4-(3,6-diethylcarbazol-9-yl)-N-methyl-N-phenylaniline;4-[3,6-di(propan-2-yl)carbazol-9-yl]-N-methyl-N-phenylaniline;4-(3,6-dipropylcarbazol-9-yl)-N-methyl-N-phenylaniline.
What is the SMILES notation for 4-(3,6-diethylcarbazol-9-yl)-N-methyl-N-phenylaniline;4-[3,6-di(propan-2-yl)carbazol-9-yl]-N-methyl-N-phenylaniline;4-(3,6-dipropylcarbazol-9-yl)-N-methyl-N-phenylaniline?
The canonical SMILES for 4-(3,6-diethylcarbazol-9-yl)-N-methyl-N-phenylaniline;4-[3,6-di(propan-2-yl)carbazol-9-yl]-N-methyl-N-phenylaniline;4-(3,6-dipropylcarbazol-9-yl)-N-methyl-N-phenylaniline is CC(C)c1ccc2c(c1)c1cc(C(C)C)ccc1n2-c1ccc(N(C)c2ccccc2)cc1.CCCc1ccc2c(c1)c1cc(CCC)ccc1n2-c1ccc(N(C)c2ccccc2)cc1.CCc1ccc2c(c1)c1cc(CC)ccc1n2-c1ccc(N(C)c2ccccc2)cc1.
What is the InChIKey of 4-(3,6-diethylcarbazol-9-yl)-N-methyl-N-phenylaniline;4-[3,6-di(propan-2-yl)carbazol-9-yl]-N-methyl-N-phenylaniline;4-(3,6-dipropylcarbazol-9-yl)-N-methyl-N-phenylaniline?
The InChIKey is AWWWROFVDGCLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C31H32N2.C29H28N2/c1-21(2)23-11-17-30-28(19-23)29-20-24(22(3)4)12-18-31(29)33(30)27-15-13-26(14-16-27)32(5)25-9-7-6-8-10-25;1-4-9-23-13-19-30-28(21-23)29-22-24(10-5-2)14-20-31(29)33(30)27-17-15-26(16-18-27)32(3)25-11-7-6-8-12-25;1-4-21-11-17-28-26(19-21)27-20-22(5-2)12-18-29(27)31(28)25-15-13-24(14-16-25)30(3)23-9-7-6-8-10-23/h6-22H,1-5H3;6-8,11-22H,4-5,9-10H2,1-3H3;6-20H,4-5H2,1-3H3.
What are the key properties of 4-(3,6-diethylcarbazol-9-yl)-N-methyl-N-phenylaniline;4-[3,6-di(propan-2-yl)carbazol-9-yl]-N-methyl-N-phenylaniline;4-(3,6-dipropylcarbazol-9-yl)-N-methyl-N-phenylaniline?
4-(3,6-diethylcarbazol-9-yl)-N-methyl-N-phenylaniline;4-[3,6-di(propan-2-yl)carbazol-9-yl]-N-methyl-N-phenylaniline;4-(3,6-dipropylcarbazol-9-yl)-N-methyl-N-phenylaniline has a molecular weight of 1269.78 g/mol, XLogP of 24.93, 17 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-diethylcarbazol-9-yl)-N-methyl-N-phenylaniline;4-[3,6-di(propan-2-yl)carbazol-9-yl]-N-methyl-N-phenylaniline;4-(3,6-dipropylcarbazol-9-yl)-N-methyl-N-phenylaniline is sourced from PubChem (CID 157255945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).