7-[4-(6-dibenzofuran-4-yl-9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole

C54H32N4O — CID 123298725

IUPAC7-[4-(6-dibenzofuran-4-yl-9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole
SMILESc1ccc(-n2c3ccc(-c4nc(-n5c6ccccc6c6c7ccccc7ccc65)nc5ccccc45)cc3c3cc(-c4cccc5c4oc4ccccc45)ccc32)cc1
InChIInChI=1S/C54H32N4O/c1-2-14-36(15-3-1)57-47-28-26-34(38-20-12-21-40-39-17-8-11-24-50(39)59-53(38)40)31-43(47)44-32-35(27-29-48(44)57)52-41-18-6-9-22-45(41)55-54(56-52)58-46-23-10-7-19-42(46)51-37-16-5-4-13-33(37)25-30-49(51)58/h1-32H
InChIKeyOOYYPYNFBTYWDE-UHFFFAOYSA-N
MW752.88 g/mol
LogP14.21
Rot. Bonds4

About 7-[4-(6-dibenzofuran-4-yl-9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole

7-[4-(6-dibenzofuran-4-yl-9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole (PubChem CID 123298725) has the molecular formula C54H32N4O and a molecular weight of 752.88 g/mol. Its IUPAC name is 7-[4-(6-dibenzofuran-4-yl-9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole.

Molecular Properties

Compound Name7-[4-(6-dibenzofuran-4-yl-9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole
PubChem CID123298725
Molecular FormulaC54H32N4O
Molecular Weight752.88 g/mol
Exact Mass752.26
IUPAC Name7-[4-(6-dibenzofuran-4-yl-9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole
SMILESc1ccc(-n2c3ccc(-c4nc(-n5c6ccccc6c6c7ccccc7ccc65)nc5ccccc45)cc3c3cc(-c4cccc5c4oc4ccccc45)ccc32)cc1
InChIInChI=1S/C54H32N4O/c1-2-14-36(15-3-1)57-47-28-26-34(38-20-12-21-40-39-17-8-11-24-50(39)59-53(38)40)31-43(47)44-32-35(27-29-48(44)57)52-41-18-6-9-22-45(41)55-54(56-52)58-46-23-10-7-19-42(46)51-37-16-5-4-13-33(37)25-30-49(51)58/h1-32H
InChIKeyOOYYPYNFBTYWDE-UHFFFAOYSA-N
XLogP14.21
TPSA48.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500752.88
LogP ≤ 514.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

10-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 138475136
10-(4-naphthalen-2-ylquinazolin-2-yl)-15-phenyl-26-oxa-10,15-diazaheptacyclo[14.11.0.02,14.03,11.04,9.019,27.020,25]heptacosa-1(16),2(14),3(11),4,6,8,12,17,19(27),20,22,24-dodecaene
CID 126679505
3-dibenzofuran-4-yl-9-(4-dibenzofuran-1-ylquinazolin-2-yl)carbazole
CID 130327449
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
3-dibenzofuran-4-yl-7-(4-naphthalen-2-ylquinazolin-2-yl)benzo[c]carbazole;3-dibenzofuran-4-yl-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole;3-dibenzofuran-4-yl-7-quinazolin-2-ylbenzo[c]carbazole
CID 159101464
14-(4-dibenzofuran-3-ylquinazolin-2-yl)-9-(3-phenylphenyl)-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 135165797
7-[4-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]quinazolin-2-yl]benzo[c]carbazole
CID 71109055
3-dibenzofuran-2-yl-9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazole;3-[9-(3-dibenzofuran-4-ylphenyl)carbazol-3-yl]-9-(4-phenylquinazolin-2-yl)carbazole
CID 158611861
3-[9-(4-dibenzofuran-2-ylquinazolin-2-yl)carbazol-3-yl]-9-phenylcarbazole
CID 130355720
7-(4-dibenzofuran-4-ylquinazolin-2-yl)benzo[c]carbazole;7-[4-[2,5-dimethyl-4-(9-phenylcarbazol-3-yl)phenyl]quinazolin-2-yl]benzo[c]carbazole;7-[4-[4-(9-phenylcarbazol-3-yl)cyclohexyl]quinazolin-2-yl]benzo[c]carbazole
CID 157100512
2-dibenzofuran-4-yl-9-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole;4-dibenzofuran-4-yl-9-(4-phenylquinazolin-2-yl)carbazole;9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(6-phenyldibenzofuran-4-yl)carbazole
CID 159982743
9-dibenzofuran-4-yl-12-(4-phenylquinazolin-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 129149709

Frequently Asked Questions

What is the IUPAC name of 7-[4-(6-dibenzofuran-4-yl-9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole?
The IUPAC name of 7-[4-(6-dibenzofuran-4-yl-9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole (CID 123298725) is 7-[4-(6-dibenzofuran-4-yl-9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole.
What is the SMILES notation for 7-[4-(6-dibenzofuran-4-yl-9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole?
The canonical SMILES for 7-[4-(6-dibenzofuran-4-yl-9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole is c1ccc(-n2c3ccc(-c4nc(-n5c6ccccc6c6c7ccccc7ccc65)nc5ccccc45)cc3c3cc(-c4cccc5c4oc4ccccc45)ccc32)cc1.
What is the InChIKey of 7-[4-(6-dibenzofuran-4-yl-9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole?
The InChIKey is OOYYPYNFBTYWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N4O/c1-2-14-36(15-3-1)57-47-28-26-34(38-20-12-21-40-39-17-8-11-24-50(39)59-53(38)40)31-43(47)44-32-35(27-29-48(44)57)52-41-18-6-9-22-45(41)55-54(56-52)58-46-23-10-7-19-42(46)51-37-16-5-4-13-33(37)25-30-49(51)58/h1-32H.
What are the key properties of 7-[4-(6-dibenzofuran-4-yl-9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole?
7-[4-(6-dibenzofuran-4-yl-9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole has a molecular weight of 752.88 g/mol, XLogP of 14.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(6-dibenzofuran-4-yl-9-phenylcarbazol-3-yl)quinazolin-2-yl]benzo[c]carbazole is sourced from PubChem (CID 123298725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).