10-[3-carbazol-9-yl-5-(2-dibenzofuran-4-ylphenyl)phenyl]phenoxazine

C48H30N2O2 — CID 155120100

IUPAC10-[3-carbazol-9-yl-5-(2-dibenzofuran-4-ylphenyl)phenyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1cc(-c2ccccc2-c2cccc3c2oc2ccccc23)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C48H30N2O2/c1-2-15-35(39-19-13-20-40-38-18-5-10-25-45(38)52-48(39)40)34(14-1)31-28-32(49-41-21-6-3-16-36(41)37-17-4-7-22-42(37)49)30-33(29-31)50-43-23-8-11-26-46(43)51-47-27-12-9-24-44(47)50/h1-30H
InChIKeyQKQRPNLTZSPTLQ-UHFFFAOYSA-N
MW666.78 g/mol
LogP13.59
Rot. Bonds4

About 10-[3-carbazol-9-yl-5-(2-dibenzofuran-4-ylphenyl)phenyl]phenoxazine

10-[3-carbazol-9-yl-5-(2-dibenzofuran-4-ylphenyl)phenyl]phenoxazine (PubChem CID 155120100) has the molecular formula C48H30N2O2 and a molecular weight of 666.78 g/mol. Its IUPAC name is 10-[3-carbazol-9-yl-5-(2-dibenzofuran-4-ylphenyl)phenyl]phenoxazine.

Molecular Properties

Compound Name10-[3-carbazol-9-yl-5-(2-dibenzofuran-4-ylphenyl)phenyl]phenoxazine
PubChem CID155120100
Molecular FormulaC48H30N2O2
Molecular Weight666.78 g/mol
Exact Mass666.23
IUPAC Name10-[3-carbazol-9-yl-5-(2-dibenzofuran-4-ylphenyl)phenyl]phenoxazine
SMILESc1ccc2c(c1)Oc1ccccc1N2c1cc(-c2ccccc2-c2cccc3c2oc2ccccc23)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C48H30N2O2/c1-2-15-35(39-19-13-20-40-38-18-5-10-25-45(38)52-48(39)40)34(14-1)31-28-32(49-41-21-6-3-16-36(41)37-17-4-7-22-42(37)49)30-33(29-31)50-43-23-8-11-26-46(43)51-47-27-12-9-24-44(47)50/h1-30H
InChIKeyQKQRPNLTZSPTLQ-UHFFFAOYSA-N
XLogP13.59
TPSA30.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.78
LogP ≤ 513.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

21-[3,5-di(carbazol-9-yl)phenyl]-14-oxa-21-azapentacyclo[20.4.0.02,7.08,13.015,20]hexacosa-1(26),2,4,6,8,10,12,15,17,19,22,24-dodecaene
CID 165066017
10-(3-carbazol-9-yl-5-chlorophenyl)phenoxazine
CID 118605227
9-(3-bromo-5-dibenzofuran-4-ylphenyl)carbazole
CID 122497163
9-[3-(4-chlorophenyl)-5-dibenzofuran-4-ylphenyl]carbazole
CID 170273136
9-[3-carbazol-9-yl-5-(2-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 155120118
10-dibenzofuran-4-yl-3-[9-(3-phenylphenyl)carbazol-3-yl]phenoxazine
CID 134476370
24-(4-dibenzofuran-4-ylphenyl)-14-oxa-24-azahexacyclo[13.11.0.02,7.08,13.017,25.018,23]hexacosa-1(15),2,4,6,8,10,12,16,18,20,22,25-dodecaene
CID 118145613
10-dibenzofuran-4-yl-3-(9-dibenzofuran-2-ylcarbazol-3-yl)phenoxazine
CID 134476372
9-dibenzofuran-2-yl-4-[3,5-di(carbazol-9-yl)phenyl]carbazole;9-dibenzofuran-3-yl-4-[3,5-di(carbazol-9-yl)phenyl]carbazole;9-dibenzofuran-4-yl-4-[3,5-di(carbazol-9-yl)phenyl]carbazole
CID 165110423
3-dibenzofuran-4-yl-9-[3-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]carbazole
CID 71004884
3-dibenzofuran-4-yl-9-(3,5-dinaphthalen-1-ylphenyl)carbazole
CID 142356757
10-[3-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-yl)phenyl]phenoxazine
CID 165060457

Frequently Asked Questions

What is the IUPAC name of 10-[3-carbazol-9-yl-5-(2-dibenzofuran-4-ylphenyl)phenyl]phenoxazine?
The IUPAC name of 10-[3-carbazol-9-yl-5-(2-dibenzofuran-4-ylphenyl)phenyl]phenoxazine (CID 155120100) is 10-[3-carbazol-9-yl-5-(2-dibenzofuran-4-ylphenyl)phenyl]phenoxazine.
What is the SMILES notation for 10-[3-carbazol-9-yl-5-(2-dibenzofuran-4-ylphenyl)phenyl]phenoxazine?
The canonical SMILES for 10-[3-carbazol-9-yl-5-(2-dibenzofuran-4-ylphenyl)phenyl]phenoxazine is c1ccc2c(c1)Oc1ccccc1N2c1cc(-c2ccccc2-c2cccc3c2oc2ccccc23)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 10-[3-carbazol-9-yl-5-(2-dibenzofuran-4-ylphenyl)phenyl]phenoxazine?
The InChIKey is QKQRPNLTZSPTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2O2/c1-2-15-35(39-19-13-20-40-38-18-5-10-25-45(38)52-48(39)40)34(14-1)31-28-32(49-41-21-6-3-16-36(41)37-17-4-7-22-42(37)49)30-33(29-31)50-43-23-8-11-26-46(43)51-47-27-12-9-24-44(47)50/h1-30H.
What are the key properties of 10-[3-carbazol-9-yl-5-(2-dibenzofuran-4-ylphenyl)phenyl]phenoxazine?
10-[3-carbazol-9-yl-5-(2-dibenzofuran-4-ylphenyl)phenyl]phenoxazine has a molecular weight of 666.78 g/mol, XLogP of 13.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[3-carbazol-9-yl-5-(2-dibenzofuran-4-ylphenyl)phenyl]phenoxazine is sourced from PubChem (CID 155120100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).