3-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole;3-methyl-10-phenylphenoxazine;10-(4-methylphenyl)phenoxazine

C76H60N4O2 — CID 163970379

IUPAC3-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole;3-methyl-10-phenylphenoxazine;10-(4-methylphenyl)phenoxazine
SMILESCc1ccc(-n2c3ccccc3c3ccccc32)cc1.Cc1ccc(N2c3ccccc3Oc3ccccc32)cc1.Cc1ccc2c(c1)Oc1ccccc1N2c1ccccc1.Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/2C19H15NO.2C19H15N/c1-14-10-12-15(13-11-14)20-16-6-2-4-8-18(16)21-19-9-5-3-7-17(19)20;1-14-11-12-17-19(13-14)21-18-10-6-5-9-16(18)20(17)15-7-3-2-4-8-15;1-14-10-12-15(13-11-14)20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20;1-14-11-12-19-17(13-14)16-9-5-6-10-18(16)20(19)15-7-3-2-4-8-15/h2*2-13H,1H3;2*2-13H,1H3
InChIKeySPMNVCDEPNKDFK-UHFFFAOYSA-N
MW1061.34 g/mol
LogP21.33
Rot. Bonds4

About 3-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole;3-methyl-10-phenylphenoxazine;10-(4-methylphenyl)phenoxazine

3-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole;3-methyl-10-phenylphenoxazine;10-(4-methylphenyl)phenoxazine (PubChem CID 163970379) has the molecular formula C76H60N4O2 and a molecular weight of 1061.34 g/mol. Its IUPAC name is 3-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole;3-methyl-10-phenylphenoxazine;10-(4-methylphenyl)phenoxazine.

Molecular Properties

Compound Name3-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole;3-methyl-10-phenylphenoxazine;10-(4-methylphenyl)phenoxazine
PubChem CID163970379
Molecular FormulaC76H60N4O2
Molecular Weight1061.34 g/mol
Exact Mass1060.47
IUPAC Name3-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole;3-methyl-10-phenylphenoxazine;10-(4-methylphenyl)phenoxazine
SMILESCc1ccc(-n2c3ccccc3c3ccccc32)cc1.Cc1ccc(N2c3ccccc3Oc3ccccc32)cc1.Cc1ccc2c(c1)Oc1ccccc1N2c1ccccc1.Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1
InChIInChI=1S/2C19H15NO.2C19H15N/c1-14-10-12-15(13-11-14)20-16-6-2-4-8-18(16)21-19-9-5-3-7-17(19)20;1-14-11-12-17-19(13-14)21-18-10-6-5-9-16(18)20(17)15-7-3-2-4-8-15;1-14-10-12-15(13-11-14)20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20;1-14-11-12-19-17(13-14)16-9-5-6-10-18(16)20(19)15-7-3-2-4-8-15/h2*2-13H,1H3;2*2-13H,1H3
InChIKeySPMNVCDEPNKDFK-UHFFFAOYSA-N
XLogP21.33
TPSA34.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001061.34
LogP ≤ 521.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-diphenyl-4-[3-(10-phenylphenoxazin-3-yl)carbazol-9-yl]aniline
CID 147912487
10-(4-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]phenoxazine
CID 134475798
10-(4-phenoxazin-10-ylphenyl)-14,21-dioxa-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 118442390
3-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)phenoxazine
CID 134475961
2,8-di(carbazol-9-yl)-10-phenylphenoxazine
CID 126612244
3,7-dimethyl-10-(9-methylcarbazol-3-yl)phenoxazine
CID 158231625
2-(4-carbazol-9-ylphenyl)-3,10-diphenylimidazo[4,5-b]phenoxazine
CID 90201700
2-methyl-7-(4-methylphenyl)-5-phenylindolo[2,3-b]carbazole
CID 71140488
16-[4-(3-phenoxazin-10-ylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14(19),15,17-nonaene
CID 164795537
N-(4-methylphenyl)-9-(4-phenoxazin-10-ylphenyl)-N-(4-phenylphenyl)carbazol-4-amine
CID 130250366
2-phenyl-5-[4-(10-phenylphenoxazin-3-yl)phenyl]phenanthridin-6-one
CID 137401641
10-(4-anthracen-9-ylphenyl)-2,3-diphenylpyrrolo[3,2-a]carbazole;10-[3-(2,3-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-3,7-dimethylphenoxazine;10-[4-(2,3-diphenylpyrrolo[3,2-a]carbazol-10-yl)phenyl]-3,7-dimethylphenoxazine
CID 161427621

Frequently Asked Questions

What is the IUPAC name of 3-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole;3-methyl-10-phenylphenoxazine;10-(4-methylphenyl)phenoxazine?
The IUPAC name of 3-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole;3-methyl-10-phenylphenoxazine;10-(4-methylphenyl)phenoxazine (CID 163970379) is 3-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole;3-methyl-10-phenylphenoxazine;10-(4-methylphenyl)phenoxazine.
What is the SMILES notation for 3-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole;3-methyl-10-phenylphenoxazine;10-(4-methylphenyl)phenoxazine?
The canonical SMILES for 3-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole;3-methyl-10-phenylphenoxazine;10-(4-methylphenyl)phenoxazine is Cc1ccc(-n2c3ccccc3c3ccccc32)cc1.Cc1ccc(N2c3ccccc3Oc3ccccc32)cc1.Cc1ccc2c(c1)Oc1ccccc1N2c1ccccc1.Cc1ccc2c(c1)c1ccccc1n2-c1ccccc1.
What is the InChIKey of 3-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole;3-methyl-10-phenylphenoxazine;10-(4-methylphenyl)phenoxazine?
The InChIKey is SPMNVCDEPNKDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H15NO.2C19H15N/c1-14-10-12-15(13-11-14)20-16-6-2-4-8-18(16)21-19-9-5-3-7-17(19)20;1-14-11-12-17-19(13-14)21-18-10-6-5-9-16(18)20(17)15-7-3-2-4-8-15;1-14-10-12-15(13-11-14)20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20;1-14-11-12-19-17(13-14)16-9-5-6-10-18(16)20(19)15-7-3-2-4-8-15/h2*2-13H,1H3;2*2-13H,1H3.
What are the key properties of 3-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole;3-methyl-10-phenylphenoxazine;10-(4-methylphenyl)phenoxazine?
3-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole;3-methyl-10-phenylphenoxazine;10-(4-methylphenyl)phenoxazine has a molecular weight of 1061.34 g/mol, XLogP of 21.33, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole;3-methyl-10-phenylphenoxazine;10-(4-methylphenyl)phenoxazine is sourced from PubChem (CID 163970379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).