10-phenyl-2-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-11-yl]phenoxazine

C48H30N4O — CID 134432123

IUPAC10-phenyl-2-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-11-yl]phenoxazine
SMILESc1ccc(-c2nc(-n3c4cccc(-c5ccc6c(c5)N(c5ccccc5)c5ccccc5O6)c4c4c5ccccc5ccc43)nc3ccccc23)cc1
InChIInChI=1S/C48H30N4O/c1-3-15-32(16-4-1)47-37-20-9-10-22-38(37)49-48(50-47)52-40-24-13-21-36(46(40)45-35-19-8-7-14-31(35)26-28-41(45)52)33-27-29-44-42(30-33)51(34-17-5-2-6-18-34)39-23-11-12-25-43(39)53-44/h1-30H
InChIKeyRFEDPEQIQNVQIF-UHFFFAOYSA-N
MW678.80 g/mol
LogP12.79
Rot. Bonds4

About 10-phenyl-2-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-11-yl]phenoxazine

10-phenyl-2-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-11-yl]phenoxazine (PubChem CID 134432123) has the molecular formula C48H30N4O and a molecular weight of 678.80 g/mol. Its IUPAC name is 10-phenyl-2-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-11-yl]phenoxazine.

Molecular Properties

Compound Name10-phenyl-2-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-11-yl]phenoxazine
PubChem CID134432123
Molecular FormulaC48H30N4O
Molecular Weight678.80 g/mol
Exact Mass678.24
IUPAC Name10-phenyl-2-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-11-yl]phenoxazine
SMILESc1ccc(-c2nc(-n3c4cccc(-c5ccc6c(c5)N(c5ccccc5)c5ccccc5O6)c4c4c5ccccc5ccc43)nc3ccccc23)cc1
InChIInChI=1S/C48H30N4O/c1-3-15-32(16-4-1)47-37-20-9-10-22-38(37)49-48(50-47)52-40-24-13-21-36(46(40)45-35-19-8-7-14-31(35)26-28-41(45)52)33-27-29-44-42(30-33)51(34-17-5-2-6-18-34)39-23-11-12-25-43(39)53-44/h1-30H
InChIKeyRFEDPEQIQNVQIF-UHFFFAOYSA-N
XLogP12.79
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.80
LogP ≤ 512.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

10-phenyl-2-[7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenoxazine
CID 134431736
10-phenyl-2-[7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenoxazine
CID 142324268
11-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 134431604
10-phenyl-2-[4-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-11-yl]phenyl]phenothiazine
CID 142324457
10-phenyl-3-[3-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-11-yl]phenyl]phenothiazine
CID 134431497
10-phenyl-3-[7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[c]carbazol-11-yl]phenothiazine
CID 134431487
10-phenyl-3-[7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]benzo[c]carbazol-11-yl]phenoxazine
CID 134431759
10-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 138475136
12-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 131999015
15-(9-phenyl-9,14-diazahexacyclo[11.11.0.02,10.03,8.015,24.018,23]tetracosa-1(13),2(10),3,5,7,11,15(24),16,18,20,22-undecaen-14-yl)-8-oxa-14,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaene
CID 129297149
12-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 71109102
11-(9,9-dimethyl-10-phenylacridin-3-yl)-7-(4,6-diphenylpyrimidin-2-yl)benzo[c]carbazole
CID 134431640

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-2-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-11-yl]phenoxazine?
The IUPAC name of 10-phenyl-2-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-11-yl]phenoxazine (CID 134432123) is 10-phenyl-2-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-11-yl]phenoxazine.
What is the SMILES notation for 10-phenyl-2-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-11-yl]phenoxazine?
The canonical SMILES for 10-phenyl-2-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-11-yl]phenoxazine is c1ccc(-c2nc(-n3c4cccc(-c5ccc6c(c5)N(c5ccccc5)c5ccccc5O6)c4c4c5ccccc5ccc43)nc3ccccc23)cc1.
What is the InChIKey of 10-phenyl-2-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-11-yl]phenoxazine?
The InChIKey is RFEDPEQIQNVQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N4O/c1-3-15-32(16-4-1)47-37-20-9-10-22-38(37)49-48(50-47)52-40-24-13-21-36(46(40)45-35-19-8-7-14-31(35)26-28-41(45)52)33-27-29-44-42(30-33)51(34-17-5-2-6-18-34)39-23-11-12-25-43(39)53-44/h1-30H.
What are the key properties of 10-phenyl-2-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-11-yl]phenoxazine?
10-phenyl-2-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-11-yl]phenoxazine has a molecular weight of 678.80 g/mol, XLogP of 12.79, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-2-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-11-yl]phenoxazine is sourced from PubChem (CID 134432123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).