10-phenyl-2-[7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenoxazine

C54H34N4O — CID 142324268

IUPAC10-phenyl-2-[7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenoxazine
SMILESc1ccc(-c2cccc(-c3nc(-n4c5cc(-c6ccc7c(c6)N(c6ccccc6)c6ccccc6O7)ccc5c5c6ccccc6ccc54)nc4ccccc34)c2)cc1
InChIInChI=1S/C54H34N4O/c1-3-14-35(15-4-1)37-17-13-18-40(32-37)53-43-22-9-10-23-45(43)55-54(56-53)58-47-30-27-36-16-7-8-21-42(36)52(47)44-29-26-38(33-48(44)58)39-28-31-51-49(34-39)57(41-19-5-2-6-20-41)46-24-11-12-25-50(46)59-51/h1-34H
InChIKeyPXMFNYYCAFJXCE-UHFFFAOYSA-N
MW754.89 g/mol
LogP14.46
Rot. Bonds5

About 10-phenyl-2-[7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenoxazine

10-phenyl-2-[7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenoxazine (PubChem CID 142324268) has the molecular formula C54H34N4O and a molecular weight of 754.89 g/mol. Its IUPAC name is 10-phenyl-2-[7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenoxazine.

Molecular Properties

Compound Name10-phenyl-2-[7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenoxazine
PubChem CID142324268
Molecular FormulaC54H34N4O
Molecular Weight754.89 g/mol
Exact Mass754.27
IUPAC Name10-phenyl-2-[7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenoxazine
SMILESc1ccc(-c2cccc(-c3nc(-n4c5cc(-c6ccc7c(c6)N(c6ccccc6)c6ccccc6O7)ccc5c5c6ccccc6ccc54)nc4ccccc34)c2)cc1
InChIInChI=1S/C54H34N4O/c1-3-14-35(15-4-1)37-17-13-18-40(32-37)53-43-22-9-10-23-45(43)55-54(56-53)58-47-30-27-36-16-7-8-21-42(36)52(47)44-29-26-38(33-48(44)58)39-28-31-51-49(34-39)57(41-19-5-2-6-20-41)46-24-11-12-25-50(46)59-51/h1-34H
InChIKeyPXMFNYYCAFJXCE-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-(4-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenoxazine
CID 134431736
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
12-[4-[3-(4-phenylphenyl)phenyl]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 118535672
14-phenyl-9-[4-(3-phenylphenyl)quinazolin-2-yl]-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-undecaene
CID 135165864
7-[4-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]quinazolin-2-yl]benzo[c]carbazole
CID 71109055
3-[3-[2-[2-(9-benzo[c]carbazol-7-ylbenzo[c]carbazol-7-yl)quinazolin-4-yl]carbazol-9-yl]phenyl]-9-carbazol-9-yl-7-[4-(9-phenylcarbazol-2-yl)quinazolin-2-yl]benzo[c]carbazole
CID 166956013
22-[4-(3-phenylphenyl)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 154597929
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
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
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-(3-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenoxazine?
The IUPAC name of 10-phenyl-2-[7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenoxazine (CID 142324268) is 10-phenyl-2-[7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenoxazine.
What is the SMILES notation for 10-phenyl-2-[7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenoxazine?
The canonical SMILES for 10-phenyl-2-[7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenoxazine is c1ccc(-c2cccc(-c3nc(-n4c5cc(-c6ccc7c(c6)N(c6ccccc6)c6ccccc6O7)ccc5c5c6ccccc6ccc54)nc4ccccc34)c2)cc1.
What is the InChIKey of 10-phenyl-2-[7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenoxazine?
The InChIKey is PXMFNYYCAFJXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N4O/c1-3-14-35(15-4-1)37-17-13-18-40(32-37)53-43-22-9-10-23-45(43)55-54(56-53)58-47-30-27-36-16-7-8-21-42(36)52(47)44-29-26-38(33-48(44)58)39-28-31-51-49(34-39)57(41-19-5-2-6-20-41)46-24-11-12-25-50(46)59-51/h1-34H.
What are the key properties of 10-phenyl-2-[7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenoxazine?
10-phenyl-2-[7-[4-(3-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-(3-phenylphenyl)quinazolin-2-yl]benzo[g]carbazol-9-yl]phenoxazine is sourced from PubChem (CID 142324268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).