5,9-diphenyl-7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole

C48H31N3 — CID 90215703

IUPAC5,9-diphenyl-7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-n4c5cc(-c6ccccc6)ccc5c5c6ccccc6c(-c6ccccc6)cc54)nc4ccccc34)c2)cc1
InChIInChI=1S/C48H31N3/c1-4-15-32(16-5-1)35-21-14-22-37(29-35)47-40-25-12-13-26-43(40)49-48(50-47)51-44-30-36(33-17-6-2-7-18-33)27-28-41(44)46-39-24-11-10-23-38(39)42(31-45(46)51)34-19-8-3-9-20-34/h1-31H
InChIKeyLRSWMVSQZMYVGS-UHFFFAOYSA-N
MW649.80 g/mol
LogP12.55
Rot. Bonds5

About 5,9-diphenyl-7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole

5,9-diphenyl-7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole (PubChem CID 90215703) has the molecular formula C48H31N3 and a molecular weight of 649.80 g/mol. Its IUPAC name is 5,9-diphenyl-7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole.

Molecular Properties

Compound Name5,9-diphenyl-7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
PubChem CID90215703
Molecular FormulaC48H31N3
Molecular Weight649.80 g/mol
Exact Mass649.25
IUPAC Name5,9-diphenyl-7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
SMILESc1ccc(-c2cccc(-c3nc(-n4c5cc(-c6ccccc6)ccc5c5c6ccccc6c(-c6ccccc6)cc54)nc4ccccc34)c2)cc1
InChIInChI=1S/C48H31N3/c1-4-15-32(16-5-1)35-21-14-22-37(29-35)47-40-25-12-13-26-43(40)49-48(50-47)51-44-30-36(33-17-6-2-7-18-33)27-28-41(44)46-39-24-11-10-23-38(39)42(31-45(46)51)34-19-8-3-9-20-34/h1-31H
InChIKeyLRSWMVSQZMYVGS-UHFFFAOYSA-N
XLogP12.55
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.80
LogP ≤ 512.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9,15-diphenyl-12-[4-(4-phenylphenyl)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 131999012
9-phenyl-12-[4-(3-phenylphenyl)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 130467267
9,15-diphenyl-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 131999013
5-[3-(9-phenylcarbazol-3-yl)phenyl]-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 134353255
9-phenyl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 90215710
12-[4-(3,5-diphenylphenyl)quinazolin-2-yl]-6-naphthalen-1-yl-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3(8),4,6,9,14,16,18,20-decaene;9-phenyl-12-[4-(4-phenylphenyl)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;9-phenyl-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 161270236
5,9-diphenyl-7-[4-(4-phenylphenyl)quinolin-2-yl]benzo[c]carbazole
CID 144640327
7-phenyl-5-[9-[4-(6-phenylnaphthalen-2-yl)quinazolin-2-yl]carbazol-3-yl]benzo[c]carbazole
CID 118637738
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
5,9-diphenyl-7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole;3-(9-phenylcarbazol-3-yl)-9-[3-(4-phenyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)phenyl]carbazole
CID 159857779
3-phenyl-5-[4-(3-phenylphenyl)quinazolin-2-yl]-[1]benzofuro[3,2-c]carbazole
CID 118283324
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

Frequently Asked Questions

What is the IUPAC name of 5,9-diphenyl-7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole?
The IUPAC name of 5,9-diphenyl-7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole (CID 90215703) is 5,9-diphenyl-7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole.
What is the SMILES notation for 5,9-diphenyl-7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole?
The canonical SMILES for 5,9-diphenyl-7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole is c1ccc(-c2cccc(-c3nc(-n4c5cc(-c6ccccc6)ccc5c5c6ccccc6c(-c6ccccc6)cc54)nc4ccccc34)c2)cc1.
What is the InChIKey of 5,9-diphenyl-7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole?
The InChIKey is LRSWMVSQZMYVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N3/c1-4-15-32(16-5-1)35-21-14-22-37(29-35)47-40-25-12-13-26-43(40)49-48(50-47)51-44-30-36(33-17-6-2-7-18-33)27-28-41(44)46-39-24-11-10-23-38(39)42(31-45(46)51)34-19-8-3-9-20-34/h1-31H.
What are the key properties of 5,9-diphenyl-7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole?
5,9-diphenyl-7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole has a molecular weight of 649.80 g/mol, XLogP of 12.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9-diphenyl-7-[4-(3-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole is sourced from PubChem (CID 90215703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).