2-[4-(7,7-diphenylbenzo[c]fluoren-2-yl)phenyl]-4-phenylquinazoline

C49H32N2 — CID 155465448

IUPAC2-[4-(7,7-diphenylbenzo[c]fluoren-2-yl)phenyl]-4-phenylquinazoline
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5ccc6c(c5c4)-c4ccccc4C6(c4ccccc4)c4ccccc4)cc3)nc3ccccc23)cc1
InChIInChI=1S/C49H32N2/c1-4-14-35(15-5-1)47-41-21-11-13-23-45(41)50-48(51-47)36-27-24-33(25-28-36)37-29-26-34-30-31-44-46(42(34)32-37)40-20-10-12-22-43(40)49(44,38-16-6-2-7-17-38)39-18-8-3-9-19-39/h1-32H
InChIKeyHLMBAXPAGCXUCG-UHFFFAOYSA-N
MW648.81 g/mol
LogP12.15
Rot. Bonds5

About 2-[4-(7,7-diphenylbenzo[c]fluoren-2-yl)phenyl]-4-phenylquinazoline

2-[4-(7,7-diphenylbenzo[c]fluoren-2-yl)phenyl]-4-phenylquinazoline (PubChem CID 155465448) has the molecular formula C49H32N2 and a molecular weight of 648.81 g/mol. Its IUPAC name is 2-[4-(7,7-diphenylbenzo[c]fluoren-2-yl)phenyl]-4-phenylquinazoline.

Molecular Properties

Compound Name2-[4-(7,7-diphenylbenzo[c]fluoren-2-yl)phenyl]-4-phenylquinazoline
PubChem CID155465448
Molecular FormulaC49H32N2
Molecular Weight648.81 g/mol
Exact Mass648.26
IUPAC Name2-[4-(7,7-diphenylbenzo[c]fluoren-2-yl)phenyl]-4-phenylquinazoline
SMILESc1ccc(-c2nc(-c3ccc(-c4ccc5ccc6c(c5c4)-c4ccccc4C6(c4ccccc4)c4ccccc4)cc3)nc3ccccc23)cc1
InChIInChI=1S/C49H32N2/c1-4-14-35(15-5-1)47-41-21-11-13-23-45(41)50-48(51-47)36-27-24-33(25-28-36)37-29-26-34-30-31-44-46(42(34)32-37)40-20-10-12-22-43(40)49(44,38-16-6-2-7-17-38)39-18-8-3-9-19-39/h1-32H
InChIKeyHLMBAXPAGCXUCG-UHFFFAOYSA-N
XLogP12.15
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.81
LogP ≤ 512.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]-2-(4-phenylphenyl)quinazoline
CID 130375125
2-[3-[3-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]-4-(4-phenylphenyl)quinazoline
CID 130375099
2-phenyl-4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 134487429
2,4-diphenyl-6-[4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]-1,3,5-triazine;2-phenyl-4-[4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]-6-[3-(4-phenylphenyl)phenyl]-1,3,5-triazine;2-phenyl-4-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 158764717
2-(4-phenylphenyl)-4-[3-[3-phenyl-5-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]phenyl]quinazoline
CID 130375121
2-[3-(14,19-diphenyl-14-tetracyclo[13.3.1.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)phenyl]-4-(4-phenylphenyl)quinazoline
CID 146413959
10,10-diphenyl-21-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-diphenyl-21-[3-[4-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-diphenyl-21-[3-(4-phenylquinazolin-2-yl)phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene;10,10-diphenyl-21-[3-[4-(4-phenylquinazolin-2-yl)phenyl]phenyl]-20-azapentacyclo[11.8.0.03,11.04,9.014,19]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 159098065
4-(3,5-diphenylphenyl)-2-spiro[benzo[c]fluorene-7,9'-fluorene]-4'-ylquinazoline
CID 155186335
2-(7,7-diphenylbenzo[c]fluoren-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 155465814
2-[4-(7,7-diphenylbenzo[c]fluoren-3-yl)naphthalen-1-yl]-4,6-diphenyl-1,3,5-triazine
CID 155465894
2-(7,7-diphenylbenzo[c]fluoren-3-yl)-3-phenylquinoxaline
CID 155465500
2-[2-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine;2-[2-(9,9-diphenylfluoren-4-yl)naphthalen-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2,4-diphenyl-6-[2-[4-(7-phenylbenzo[c]fluoren-7-yl)phenyl]naphthalen-1-yl]-1,3,5-triazine;2,4-diphenyl-6-(2-triphenylen-2-ylnaphthalen-1-yl)-1,3,5-triazine
CID 157487558

Frequently Asked Questions

What is the IUPAC name of 2-[4-(7,7-diphenylbenzo[c]fluoren-2-yl)phenyl]-4-phenylquinazoline?
The IUPAC name of 2-[4-(7,7-diphenylbenzo[c]fluoren-2-yl)phenyl]-4-phenylquinazoline (CID 155465448) is 2-[4-(7,7-diphenylbenzo[c]fluoren-2-yl)phenyl]-4-phenylquinazoline.
What is the SMILES notation for 2-[4-(7,7-diphenylbenzo[c]fluoren-2-yl)phenyl]-4-phenylquinazoline?
The canonical SMILES for 2-[4-(7,7-diphenylbenzo[c]fluoren-2-yl)phenyl]-4-phenylquinazoline is c1ccc(-c2nc(-c3ccc(-c4ccc5ccc6c(c5c4)-c4ccccc4C6(c4ccccc4)c4ccccc4)cc3)nc3ccccc23)cc1.
What is the InChIKey of 2-[4-(7,7-diphenylbenzo[c]fluoren-2-yl)phenyl]-4-phenylquinazoline?
The InChIKey is HLMBAXPAGCXUCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N2/c1-4-14-35(15-5-1)47-41-21-11-13-23-45(41)50-48(51-47)36-27-24-33(25-28-36)37-29-26-34-30-31-44-46(42(34)32-37)40-20-10-12-22-43(40)49(44,38-16-6-2-7-17-38)39-18-8-3-9-19-39/h1-32H.
What are the key properties of 2-[4-(7,7-diphenylbenzo[c]fluoren-2-yl)phenyl]-4-phenylquinazoline?
2-[4-(7,7-diphenylbenzo[c]fluoren-2-yl)phenyl]-4-phenylquinazoline has a molecular weight of 648.81 g/mol, XLogP of 12.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(7,7-diphenylbenzo[c]fluoren-2-yl)phenyl]-4-phenylquinazoline is sourced from PubChem (CID 155465448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).