3,6-bis(4-chlorophenyl)-9-phenylcarbazole;10H-phenoxazine;10-[4-[6-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenoxazine

C96H63Cl2N5O3 — CID 160553276

IUPAC3,6-bis(4-chlorophenyl)-9-phenylcarbazole;10H-phenoxazine;10-[4-[6-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenoxazine
SMILESClc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(Cl)cc4)ccc2n3-c2ccccc2)cc1.c1ccc(-n2c3ccc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)cc3c3cc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)ccc32)cc1.c1ccc2c(c1)Nc1ccccc1O2
InChIInChI=1S/C54H35N3O2.C30H19Cl2N.C12H9NO/c1-2-12-40(13-3-1)55-45-32-26-38(36-22-28-41(29-23-36)56-47-14-4-8-18-51(47)58-52-19-9-5-15-48(52)56)34-43(45)44-35-39(27-33-46(44)55)37-24-30-42(31-25-37)57-49-16-6-10-20-53(49)59-54-21-11-7-17-50(54)57;31-24-12-6-20(7-13-24)22-10-16-29-27(18-22)28-19-23(21-8-14-25(32)15-9-21)11-17-30(28)33(29)26-4-2-1-3-5-26;1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-35H;1-19H;1-8,13H
InChIKeyQYIVQPNTJRLBEW-UHFFFAOYSA-N
MW1405.50 g/mol
LogP28.23
Rot. Bonds8

About 3,6-bis(4-chlorophenyl)-9-phenylcarbazole;10H-phenoxazine;10-[4-[6-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenoxazine

3,6-bis(4-chlorophenyl)-9-phenylcarbazole;10H-phenoxazine;10-[4-[6-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenoxazine (PubChem CID 160553276) has the molecular formula C96H63Cl2N5O3 and a molecular weight of 1405.50 g/mol. Its IUPAC name is 3,6-bis(4-chlorophenyl)-9-phenylcarbazole;10H-phenoxazine;10-[4-[6-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenoxazine.

Molecular Properties

Compound Name3,6-bis(4-chlorophenyl)-9-phenylcarbazole;10H-phenoxazine;10-[4-[6-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenoxazine
PubChem CID160553276
Molecular FormulaC96H63Cl2N5O3
Molecular Weight1405.50 g/mol
Exact Mass1403.43
IUPAC Name3,6-bis(4-chlorophenyl)-9-phenylcarbazole;10H-phenoxazine;10-[4-[6-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenoxazine
SMILESClc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(Cl)cc4)ccc2n3-c2ccccc2)cc1.c1ccc(-n2c3ccc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)cc3c3cc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)ccc32)cc1.c1ccc2c(c1)Nc1ccccc1O2
InChIInChI=1S/C54H35N3O2.C30H19Cl2N.C12H9NO/c1-2-12-40(13-3-1)55-45-32-26-38(36-22-28-41(29-23-36)56-47-14-4-8-18-51(47)58-52-19-9-5-15-48(52)56)34-43(45)44-35-39(27-33-46(44)55)37-24-30-42(31-25-37)57-49-16-6-10-20-53(49)59-54-21-11-7-17-50(54)57;31-24-12-6-20(7-13-24)22-10-16-29-27(18-22)28-19-23(21-8-14-25(32)15-9-21)11-17-30(28)33(29)26-4-2-1-3-5-26;1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-35H;1-19H;1-8,13H
InChIKeyQYIVQPNTJRLBEW-UHFFFAOYSA-N
XLogP28.23
TPSA56.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms106
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001405.50
LogP ≤ 528.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

10-(4-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]phenoxazine
CID 134475798
3-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)phenoxazine
CID 134475961
2-phenyl-5-[4-(10-phenylphenoxazin-3-yl)phenyl]phenanthridin-6-one
CID 137401641
N,N-diphenyl-4-[3-(10-phenylphenoxazin-3-yl)carbazol-9-yl]aniline
CID 147912487
3-(4-chlorophenyl)-9-phenylcarbazole
CID 59365524
10-[4-[6-(4-phenothiazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenothiazine
CID 137467162
10-[3,5-bis[3,5-bis(4-tert-butylphenyl)phenyl]phenyl]phenoxazine;3,6-bis[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]-9-[4-[3,6-bis(3,6-ditert-butylcarbazol-9-yl)carbazol-9-yl]phenyl]carbazole;3,6-bis(3,5-diphenylphenyl)-9-phenylcarbazole
CID 165088278
10-[4-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 164795391
11-[3-[9-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)carbazol-3-yl]carbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene;11-[3-(8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaen-11-yl)-6-(9-phenylcarbazol-3-yl)carbazol-9-yl]-8,14-dioxa-1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 158285187
3-methyl-9-phenylcarbazole;9-(4-methylphenyl)carbazole;3-methyl-10-phenylphenoxazine;10-(4-methylphenyl)phenoxazine
CID 163970379
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
5-[3-(3,6-diphenylcarbazol-9-yl)phenyl]-13-oxa-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene
CID 164795199

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(4-chlorophenyl)-9-phenylcarbazole;10H-phenoxazine;10-[4-[6-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenoxazine?
The IUPAC name of 3,6-bis(4-chlorophenyl)-9-phenylcarbazole;10H-phenoxazine;10-[4-[6-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenoxazine (CID 160553276) is 3,6-bis(4-chlorophenyl)-9-phenylcarbazole;10H-phenoxazine;10-[4-[6-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenoxazine.
What is the SMILES notation for 3,6-bis(4-chlorophenyl)-9-phenylcarbazole;10H-phenoxazine;10-[4-[6-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenoxazine?
The canonical SMILES for 3,6-bis(4-chlorophenyl)-9-phenylcarbazole;10H-phenoxazine;10-[4-[6-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenoxazine is Clc1ccc(-c2ccc3c(c2)c2cc(-c4ccc(Cl)cc4)ccc2n3-c2ccccc2)cc1.c1ccc(-n2c3ccc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)cc3c3cc(-c4ccc(N5c6ccccc6Oc6ccccc65)cc4)ccc32)cc1.c1ccc2c(c1)Nc1ccccc1O2.
What is the InChIKey of 3,6-bis(4-chlorophenyl)-9-phenylcarbazole;10H-phenoxazine;10-[4-[6-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenoxazine?
The InChIKey is QYIVQPNTJRLBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H35N3O2.C30H19Cl2N.C12H9NO/c1-2-12-40(13-3-1)55-45-32-26-38(36-22-28-41(29-23-36)56-47-14-4-8-18-51(47)58-52-19-9-5-15-48(52)56)34-43(45)44-35-39(27-33-46(44)55)37-24-30-42(31-25-37)57-49-16-6-10-20-53(49)59-54-21-11-7-17-50(54)57;31-24-12-6-20(7-13-24)22-10-16-29-27(18-22)28-19-23(21-8-14-25(32)15-9-21)11-17-30(28)33(29)26-4-2-1-3-5-26;1-3-7-11-9(5-1)13-10-6-2-4-8-12(10)14-11/h1-35H;1-19H;1-8,13H.
What are the key properties of 3,6-bis(4-chlorophenyl)-9-phenylcarbazole;10H-phenoxazine;10-[4-[6-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenoxazine?
3,6-bis(4-chlorophenyl)-9-phenylcarbazole;10H-phenoxazine;10-[4-[6-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenoxazine has a molecular weight of 1405.50 g/mol, XLogP of 28.23, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(4-chlorophenyl)-9-phenylcarbazole;10H-phenoxazine;10-[4-[6-(4-phenoxazin-10-ylphenyl)-9-phenylcarbazol-3-yl]phenyl]phenoxazine is sourced from PubChem (CID 160553276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).