3-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)phenoxazine

C42H28N2O — CID 134475961

IUPAC3-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)phenoxazine
SMILESc1ccc(-c2cccc(N3c4ccccc4Oc4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c2)cc1
InChIInChI=1S/C42H28N2O/c1-3-12-29(13-4-1)30-14-11-17-34(26-30)44-39-20-9-10-21-41(39)45-42-28-32(23-25-40(42)44)31-22-24-38-36(27-31)35-18-7-8-19-37(35)43(38)33-15-5-2-6-16-33/h1-28H
InChIKeyMLJVZRVERDLYKM-UHFFFAOYSA-N
MW576.70 g/mol
LogP11.69
Rot. Bonds4

About 3-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)phenoxazine

3-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)phenoxazine (PubChem CID 134475961) has the molecular formula C42H28N2O and a molecular weight of 576.70 g/mol. Its IUPAC name is 3-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)phenoxazine.

Molecular Properties

Compound Name3-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)phenoxazine
PubChem CID134475961
Molecular FormulaC42H28N2O
Molecular Weight576.70 g/mol
Exact Mass576.22
IUPAC Name3-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)phenoxazine
SMILESc1ccc(-c2cccc(N3c4ccccc4Oc4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c2)cc1
InChIInChI=1S/C42H28N2O/c1-3-12-29(13-4-1)30-14-11-17-34(26-30)44-39-20-9-10-21-41(39)45-42-28-32(23-25-40(42)44)31-22-24-38-36(27-31)35-18-7-8-19-37(35)43(38)33-15-5-2-6-16-33/h1-28H
InChIKeyMLJVZRVERDLYKM-UHFFFAOYSA-N
XLogP11.69
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.70
LogP ≤ 511.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

10-(4-phenylphenyl)-3-[9-(3-phenylphenyl)carbazol-3-yl]phenoxazine
CID 134475798
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,N-diphenyl-4-[3-(10-phenylphenoxazin-3-yl)carbazol-9-yl]aniline
CID 147912487
10-dibenzofuran-4-yl-3-[9-(3-phenylphenyl)carbazol-3-yl]phenoxazine
CID 134476370
11-[3-phenyl-6-[9-[3-(3-phenylphenyl)phenyl]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
CID 129289224
2-phenyl-5-[4-(10-phenylphenoxazin-3-yl)phenyl]phenanthridin-6-one
CID 137401641
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
5-[4-(3-carbazol-9-ylphenyl)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 164795226
3-[12-(9-phenylcarbazol-2-yl)-8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-4-yl]-10-(3-phenylphenyl)phenoxazine
CID 118517036
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
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
25-(3-phenylphenyl)-21-[9-(3-phenylphenyl)carbazol-3-yl]-2,16-dioxa-9,25-diazaheptacyclo[15.10.1.03,8.09,28.010,15.018,26.019,24]octacosa-1(28),3,5,7,10,12,14,17,19(24),20,22,26-dodecaene
CID 142357461

Frequently Asked Questions

What is the IUPAC name of 3-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)phenoxazine?
The IUPAC name of 3-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)phenoxazine (CID 134475961) is 3-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)phenoxazine.
What is the SMILES notation for 3-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)phenoxazine?
The canonical SMILES for 3-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)phenoxazine is c1ccc(-c2cccc(N3c4ccccc4Oc4cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)ccc43)c2)cc1.
What is the InChIKey of 3-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)phenoxazine?
The InChIKey is MLJVZRVERDLYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H28N2O/c1-3-12-29(13-4-1)30-14-11-17-34(26-30)44-39-20-9-10-21-41(39)45-42-28-32(23-25-40(42)44)31-22-24-38-36(27-31)35-18-7-8-19-37(35)43(38)33-15-5-2-6-16-33/h1-28H.
What are the key properties of 3-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)phenoxazine?
3-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)phenoxazine has a molecular weight of 576.70 g/mol, XLogP of 11.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-phenylcarbazol-3-yl)-10-(3-phenylphenyl)phenoxazine is sourced from PubChem (CID 134475961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).