10-phenyl-2-[7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenoxazine

C54H34N4O — CID 134431736

IUPAC10-phenyl-2-[7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenoxazine
SMILESc1ccc(-c2ccc(-c3nc(-n4c5cc(-c6ccc7c(c6)N(c6ccccc6)c6ccccc6O7)ccc5c5c6ccccc6ccc54)nc4ccccc34)cc2)cc1
InChIInChI=1S/C54H34N4O/c1-3-13-35(14-4-1)36-23-25-38(26-24-36)53-43-19-9-10-20-45(43)55-54(56-53)58-47-31-28-37-15-7-8-18-42(37)52(47)44-30-27-39(33-48(44)58)40-29-32-51-49(34-40)57(41-16-5-2-6-17-41)46-21-11-12-22-50(46)59-51/h1-34H
InChIKeyMORLGKWSLSXIRT-UHFFFAOYSA-N
MW754.89 g/mol
LogP14.46
Rot. Bonds5

About 10-phenyl-2-[7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenoxazine

10-phenyl-2-[7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenoxazine (PubChem CID 134431736) has the molecular formula C54H34N4O and a molecular weight of 754.89 g/mol. Its IUPAC name is 10-phenyl-2-[7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenoxazine.

Molecular Properties

Compound Name10-phenyl-2-[7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenoxazine
PubChem CID134431736
Molecular FormulaC54H34N4O
Molecular Weight754.89 g/mol
Exact Mass754.27
IUPAC Name10-phenyl-2-[7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenoxazine
SMILESc1ccc(-c2ccc(-c3nc(-n4c5cc(-c6ccc7c(c6)N(c6ccccc6)c6ccccc6O7)ccc5c5c6ccccc6ccc54)nc4ccccc34)cc2)cc1
InChIInChI=1S/C54H34N4O/c1-3-13-35(14-4-1)36-23-25-38(26-24-36)53-43-19-9-10-20-45(43)55-54(56-53)58-47-31-28-37-15-7-8-18-42(37)52(47)44-30-27-39(33-48(44)58)40-29-32-51-49(34-40)57(41-16-5-2-6-17-41)46-21-11-12-22-50(46)59-51/h1-34H
InChIKeyMORLGKWSLSXIRT-UHFFFAOYSA-N
XLogP14.46
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.89
LogP ≤ 514.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

10-phenyl-2-[7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenoxazine
CID 142324268
10-phenyl-2-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-11-yl]phenoxazine
CID 134432123
9-phenyl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 90215710
10-phenyl-3-[7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenothiazine
CID 134431717
10-phenyl-2-[4-[7-(4-phenylquinazolin-2-yl)benzo[c]carbazol-10-yl]phenyl]phenothiazine
CID 142324169
7-[4-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]quinazolin-2-yl]benzo[c]carbazole
CID 71109055
3-phenyl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 130350871
22-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene
CID 154597887
3-benzo[c]carbazol-7-yl-5-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole
CID 146375569
12-[4-(9-phenylcarbazol-2-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 129149729
25-phenyl-21-[9-(4-phenylquinazolin-2-yl)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 134559982
10-benzo[c]carbazol-7-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole
CID 162481241

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-2-[7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenoxazine?
The IUPAC name of 10-phenyl-2-[7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenoxazine (CID 134431736) is 10-phenyl-2-[7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenoxazine.
What is the SMILES notation for 10-phenyl-2-[7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenoxazine?
The canonical SMILES for 10-phenyl-2-[7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenoxazine is c1ccc(-c2ccc(-c3nc(-n4c5cc(-c6ccc7c(c6)N(c6ccccc6)c6ccccc6O7)ccc5c5c6ccccc6ccc54)nc4ccccc34)cc2)cc1.
What is the InChIKey of 10-phenyl-2-[7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenoxazine?
The InChIKey is MORLGKWSLSXIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N4O/c1-3-13-35(14-4-1)36-23-25-38(26-24-36)53-43-19-9-10-20-45(43)55-54(56-53)58-47-31-28-37-15-7-8-18-42(37)52(47)44-30-27-39(33-48(44)58)40-29-32-51-49(34-40)57(41-16-5-2-6-17-41)46-21-11-12-22-50(46)59-51/h1-34H.
What are the key properties of 10-phenyl-2-[7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenoxazine?
10-phenyl-2-[7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenoxazine has a molecular weight of 754.89 g/mol, XLogP of 14.46, 5 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-(4-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenoxazine is sourced from PubChem (CID 134431736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).