2-(4-carbazol-9-ylphenyl)-3,10-diphenylimidazo[4,5-b]phenoxazine

C43H28N4O — CID 90201700

IUPAC2-(4-carbazol-9-ylphenyl)-3,10-diphenylimidazo[4,5-b]phenoxazine
SMILESc1ccc(N2c3ccccc3Oc3cc4c(cc32)nc(-c2ccc(-n3c5ccccc5c5ccccc53)cc2)n4-c2ccccc2)cc1
InChIInChI=1S/C43H28N4O/c1-3-13-30(14-4-1)46-38-21-11-12-22-41(38)48-42-28-39-35(27-40(42)46)44-43(47(39)31-15-5-2-6-16-31)29-23-25-32(26-24-29)45-36-19-9-7-17-33(36)34-18-8-10-20-37(34)45/h1-28H
InChIKeyHSFDRJRDQHHQIM-UHFFFAOYSA-N
MW616.72 g/mol
LogP11.37
Rot. Bonds4

About 2-(4-carbazol-9-ylphenyl)-3,10-diphenylimidazo[4,5-b]phenoxazine

2-(4-carbazol-9-ylphenyl)-3,10-diphenylimidazo[4,5-b]phenoxazine (PubChem CID 90201700) has the molecular formula C43H28N4O and a molecular weight of 616.72 g/mol. Its IUPAC name is 2-(4-carbazol-9-ylphenyl)-3,10-diphenylimidazo[4,5-b]phenoxazine.

Molecular Properties

Compound Name2-(4-carbazol-9-ylphenyl)-3,10-diphenylimidazo[4,5-b]phenoxazine
PubChem CID90201700
Molecular FormulaC43H28N4O
Molecular Weight616.72 g/mol
Exact Mass616.23
IUPAC Name2-(4-carbazol-9-ylphenyl)-3,10-diphenylimidazo[4,5-b]phenoxazine
SMILESc1ccc(N2c3ccccc3Oc3cc4c(cc32)nc(-c2ccc(-n3c5ccccc5c5ccccc53)cc2)n4-c2ccccc2)cc1
InChIInChI=1S/C43H28N4O/c1-3-13-30(14-4-1)46-38-21-11-12-22-41(38)48-42-28-39-35(27-40(42)46)44-43(47(39)31-15-5-2-6-16-31)29-23-25-32(26-24-29)45-36-19-9-7-17-33(36)34-18-8-10-20-37(34)45/h1-28H
InChIKeyHSFDRJRDQHHQIM-UHFFFAOYSA-N
XLogP11.37
TPSA35.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.72
LogP ≤ 511.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

21-(2-carbazol-9-ylphenyl)-24-phenyl-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaene;24-(1,2-diphenylbenzimidazol-5-yl)-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18,20,22-dodecaene;21-(2,3-diphenylbenzimidazol-5-yl)-24-phenyl-17-oxa-24-azahexacyclo[12.12.0.02,7.08,13.016,25.018,23]hexacosa-1(26),2,4,6,8,10,12,14,16(25),18(23),19,21-dodecaene
CID 165064841
2-(4-carbazol-9-ylphenyl)-5-phenyl-[1,3]oxazolo[4,5-b]phenoxazine
CID 90201733
3-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole;3-methyl-10-phenylphenoxazine;10-(4-methylphenyl)phenoxazine
CID 163970379
2,8-di(carbazol-9-yl)-10-phenylphenoxazine
CID 126612244
10-[4-[5-(4-carbazol-9-ylphenyl)-3-pyridinyl]phenyl]phenoxazine
CID 59372053
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
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-[2-bromo-5-(1-phenylbenzimidazol-2-yl)phenyl]phenoxazine
CID 129148203
9-[4-[4-[4-[4-[4-(1-phenylbenzimidazol-2-yl)phenyl]phenyl]phenyl]phenyl]phenyl]carbazole
CID 58470934
3-[3-[9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-2-yl]phenyl]-10-phenylphenoxazine
CID 134475859
11-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-(9-phenylcarbazol-3-yl)-15,21-dioxa-1,11-diazaheptacyclo[14.11.1.02,14.04,12.05,10.020,28.022,27]octacosa-2(14),3,5(10),6,8,12,16,18,20(28),22,24,26-dodecaene
CID 134560001

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbazol-9-ylphenyl)-3,10-diphenylimidazo[4,5-b]phenoxazine?
The IUPAC name of 2-(4-carbazol-9-ylphenyl)-3,10-diphenylimidazo[4,5-b]phenoxazine (CID 90201700) is 2-(4-carbazol-9-ylphenyl)-3,10-diphenylimidazo[4,5-b]phenoxazine.
What is the SMILES notation for 2-(4-carbazol-9-ylphenyl)-3,10-diphenylimidazo[4,5-b]phenoxazine?
The canonical SMILES for 2-(4-carbazol-9-ylphenyl)-3,10-diphenylimidazo[4,5-b]phenoxazine is c1ccc(N2c3ccccc3Oc3cc4c(cc32)nc(-c2ccc(-n3c5ccccc5c5ccccc53)cc2)n4-c2ccccc2)cc1.
What is the InChIKey of 2-(4-carbazol-9-ylphenyl)-3,10-diphenylimidazo[4,5-b]phenoxazine?
The InChIKey is HSFDRJRDQHHQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N4O/c1-3-13-30(14-4-1)46-38-21-11-12-22-41(38)48-42-28-39-35(27-40(42)46)44-43(47(39)31-15-5-2-6-16-31)29-23-25-32(26-24-29)45-36-19-9-7-17-33(36)34-18-8-10-20-37(34)45/h1-28H.
What are the key properties of 2-(4-carbazol-9-ylphenyl)-3,10-diphenylimidazo[4,5-b]phenoxazine?
2-(4-carbazol-9-ylphenyl)-3,10-diphenylimidazo[4,5-b]phenoxazine has a molecular weight of 616.72 g/mol, XLogP of 11.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbazol-9-ylphenyl)-3,10-diphenylimidazo[4,5-b]phenoxazine is sourced from PubChem (CID 90201700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).