10-phenyl-3-[7-[4-(4-phenyl-4a,8a-dihydroquinazolin-2-yl)phenyl]benzo[g]carbazol-8-yl]phenoxazine

C54H36N4O — CID 134432063

IUPAC10-phenyl-3-[7-[4-(4-phenyl-4a,8a-dihydroquinazolin-2-yl)phenyl]benzo[g]carbazol-8-yl]phenoxazine
SMILESC1=CC2N=C(c3ccc(-n4c5ccc6ccccc6c5c5cccc(-c6ccc7c(c6)Oc6ccccc6N7c6ccccc6)c54)cc3)N=C(c3ccccc3)C2C=C1
InChIInChI=1S/C54H36N4O/c1-3-15-36(16-4-1)52-43-20-9-10-23-45(43)55-54(56-52)37-26-30-40(31-27-37)58-48-33-28-35-14-7-8-19-41(35)51(48)44-22-13-21-42(53(44)58)38-29-32-47-50(34-38)59-49-25-12-11-24-46(49)57(47)39-17-5-2-6-18-39/h1-34,43,45H
InChIKeyHSDICMMPQYIYTO-UHFFFAOYSA-N
MW756.91 g/mol
LogP13.54
Rot. Bonds5

About 10-phenyl-3-[7-[4-(4-phenyl-4a,8a-dihydroquinazolin-2-yl)phenyl]benzo[g]carbazol-8-yl]phenoxazine

10-phenyl-3-[7-[4-(4-phenyl-4a,8a-dihydroquinazolin-2-yl)phenyl]benzo[g]carbazol-8-yl]phenoxazine (PubChem CID 134432063) has the molecular formula C54H36N4O and a molecular weight of 756.91 g/mol. Its IUPAC name is 10-phenyl-3-[7-[4-(4-phenyl-4a,8a-dihydroquinazolin-2-yl)phenyl]benzo[g]carbazol-8-yl]phenoxazine.

Molecular Properties

Compound Name10-phenyl-3-[7-[4-(4-phenyl-4a,8a-dihydroquinazolin-2-yl)phenyl]benzo[g]carbazol-8-yl]phenoxazine
PubChem CID134432063
Molecular FormulaC54H36N4O
Molecular Weight756.91 g/mol
Exact Mass756.29
IUPAC Name10-phenyl-3-[7-[4-(4-phenyl-4a,8a-dihydroquinazolin-2-yl)phenyl]benzo[g]carbazol-8-yl]phenoxazine
SMILESC1=CC2N=C(c3ccc(-n4c5ccc6ccccc6c5c5cccc(-c6ccc7c(c6)Oc6ccccc6N7c6ccccc6)c54)cc3)N=C(c3ccccc3)C2C=C1
InChIInChI=1S/C54H36N4O/c1-3-15-36(16-4-1)52-43-20-9-10-23-45(43)55-54(56-52)37-26-30-40(31-27-37)58-48-33-28-35-14-7-8-19-41(35)51(48)44-22-13-21-42(53(44)58)38-29-32-47-50(34-38)59-49-25-12-11-24-46(49)57(47)39-17-5-2-6-18-39/h1-34,43,45H
InChIKeyHSDICMMPQYIYTO-UHFFFAOYSA-N
XLogP13.54
TPSA42.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500756.91
LogP ≤ 513.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N'-[2-(1-phenylethyl)phenyl]-3-[8-(10-phenylphenoxazin-3-yl)benzo[c]carbazol-7-yl]benzenecarboximidamide
CID 142324237
10-phenyl-3-[7-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]benzo[c]carbazol-11-yl]phenoxazine
CID 134431759
10-phenyl-2-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-11-yl]phenoxazine
CID 134432123
10-phenyl-3-[7-(4-phenylbenzo[h]quinazolin-2-yl)benzo[g]carbazol-8-yl]phenothiazine
CID 134432144
10-phenyl-3-[7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-8-yl]phenothiazine
CID 134432136
10-phenyl-3-[3-[7-(4-phenylquinazolin-2-yl)benzo[g]carbazol-8-yl]phenyl]phenothiazine
CID 134432147
10-phenyl-2-[7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenoxazine
CID 142324268
(Z)-3-imino-1-phenyl-3-[8-(10-phenylphenoxazin-3-yl)benzo[c]carbazol-7-yl]prop-1-en-1-amine;1-methyl-4-phenylbenzene
CID 142324064
6-(4-benzo[c]carbazol-7-ylphenyl)-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 164795181
8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-(4,6-diphenyl-1,3,5-triazin-2-yl)benzo[c]carbazole
CID 163429067
10-phenyl-2-[7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenoxazine
CID 134431736
8-(9,9-dimethyl-10-phenylacridin-2-yl)-7-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]benzo[c]carbazole
CID 134431501

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-3-[7-[4-(4-phenyl-4a,8a-dihydroquinazolin-2-yl)phenyl]benzo[g]carbazol-8-yl]phenoxazine?
The IUPAC name of 10-phenyl-3-[7-[4-(4-phenyl-4a,8a-dihydroquinazolin-2-yl)phenyl]benzo[g]carbazol-8-yl]phenoxazine (CID 134432063) is 10-phenyl-3-[7-[4-(4-phenyl-4a,8a-dihydroquinazolin-2-yl)phenyl]benzo[g]carbazol-8-yl]phenoxazine.
What is the SMILES notation for 10-phenyl-3-[7-[4-(4-phenyl-4a,8a-dihydroquinazolin-2-yl)phenyl]benzo[g]carbazol-8-yl]phenoxazine?
The canonical SMILES for 10-phenyl-3-[7-[4-(4-phenyl-4a,8a-dihydroquinazolin-2-yl)phenyl]benzo[g]carbazol-8-yl]phenoxazine is C1=CC2N=C(c3ccc(-n4c5ccc6ccccc6c5c5cccc(-c6ccc7c(c6)Oc6ccccc6N7c6ccccc6)c54)cc3)N=C(c3ccccc3)C2C=C1.
What is the InChIKey of 10-phenyl-3-[7-[4-(4-phenyl-4a,8a-dihydroquinazolin-2-yl)phenyl]benzo[g]carbazol-8-yl]phenoxazine?
The InChIKey is HSDICMMPQYIYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H36N4O/c1-3-15-36(16-4-1)52-43-20-9-10-23-45(43)55-54(56-52)37-26-30-40(31-27-37)58-48-33-28-35-14-7-8-19-41(35)51(48)44-22-13-21-42(53(44)58)38-29-32-47-50(34-38)59-49-25-12-11-24-46(49)57(47)39-17-5-2-6-18-39/h1-34,43,45H.
What are the key properties of 10-phenyl-3-[7-[4-(4-phenyl-4a,8a-dihydroquinazolin-2-yl)phenyl]benzo[g]carbazol-8-yl]phenoxazine?
10-phenyl-3-[7-[4-(4-phenyl-4a,8a-dihydroquinazolin-2-yl)phenyl]benzo[g]carbazol-8-yl]phenoxazine has a molecular weight of 756.91 g/mol, XLogP of 13.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-3-[7-[4-(4-phenyl-4a,8a-dihydroquinazolin-2-yl)phenyl]benzo[g]carbazol-8-yl]phenoxazine is sourced from PubChem (CID 134432063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).