5-(7-phenyl-4-triphenylen-2-ylquinazolin-2-yl)benzo[b]carbazole

C48H29N3 — CID 139361644

IUPAC5-(7-phenyl-4-triphenylen-2-ylquinazolin-2-yl)benzo[b]carbazole
SMILESc1ccc(-c2ccc3c(-c4ccc5c6ccccc6c6ccccc6c5c4)nc(-n4c5ccccc5c5cc6ccccc6cc54)nc3c2)cc1
InChIInChI=1S/C48H29N3/c1-2-12-30(13-3-1)33-22-25-41-44(28-33)49-48(51-45-21-11-10-20-40(45)43-26-31-14-4-5-15-32(31)29-46(43)51)50-47(41)34-23-24-39-37-18-7-6-16-35(37)36-17-8-9-19-38(36)42(39)27-34/h1-29H
InChIKeyYRXUUZOSFDPWEN-UHFFFAOYSA-N
MW647.78 g/mol
LogP12.67
Rot. Bonds3

About 5-(7-phenyl-4-triphenylen-2-ylquinazolin-2-yl)benzo[b]carbazole

5-(7-phenyl-4-triphenylen-2-ylquinazolin-2-yl)benzo[b]carbazole (PubChem CID 139361644) has the molecular formula C48H29N3 and a molecular weight of 647.78 g/mol. Its IUPAC name is 5-(7-phenyl-4-triphenylen-2-ylquinazolin-2-yl)benzo[b]carbazole.

Molecular Properties

Compound Name5-(7-phenyl-4-triphenylen-2-ylquinazolin-2-yl)benzo[b]carbazole
PubChem CID139361644
Molecular FormulaC48H29N3
Molecular Weight647.78 g/mol
Exact Mass647.24
IUPAC Name5-(7-phenyl-4-triphenylen-2-ylquinazolin-2-yl)benzo[b]carbazole
SMILESc1ccc(-c2ccc3c(-c4ccc5c6ccccc6c6ccccc6c5c4)nc(-n4c5ccccc5c5cc6ccccc6cc54)nc3c2)cc1
InChIInChI=1S/C48H29N3/c1-2-12-30(13-3-1)33-22-25-41-44(28-33)49-48(51-45-21-11-10-20-40(45)43-26-31-14-4-5-15-32(31)29-46(43)51)50-47(41)34-23-24-39-37-18-7-6-16-35(37)36-17-8-9-19-38(36)42(39)27-34/h1-29H
InChIKeyYRXUUZOSFDPWEN-UHFFFAOYSA-N
XLogP12.67
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500647.78
LogP ≤ 512.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

5-(7-dibenzofuran-2-yl-4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 139361734
5-[6,7-diphenyl-4-(4-phenylphenyl)quinazolin-2-yl]benzo[b]carbazole
CID 139361845
5-(6,7-diphenyl-4-triphenylen-2-ylquinazolin-2-yl)-3-phenylbenzo[b]carbazole;5-(4-naphthalen-1-yl-7-naphthalen-2-ylquinazolin-2-yl)-2-(4-phenylphenyl)benzo[b]carbazole;5-(4-naphthalen-1-yl-6-naphthalen-2-ylquinazolin-2-yl)-1-triphenylen-2-ylbenzo[b]carbazole
CID 157483627
12-(4-naphthalen-2-yl-7-phenylquinazolin-2-yl)-12-azapentacyclo[11.8.0.02,11.03,8.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 139361469
5-(4-naphthalen-1-ylquinazolin-2-yl)-3-[9-(4-phenylphenyl)carbazol-3-yl]benzo[b]carbazole
CID 142474116
3-[9-(3,5-diphenylphenyl)carbazol-2-yl]-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole
CID 90129291
5-(4-naphtho[2,1-b][1]benzofuran-2-ylquinazolin-2-yl)benzo[b]carbazole
CID 139361573
5-[4-(9,9-dimethylfluoren-4-yl)-7-phenylquinazolin-2-yl]benzo[b]carbazole
CID 139361929
3-[4-(9-phenylcarbazol-3-yl)phenyl]-9-[4-(3-phenylphenyl)quinazolin-2-yl]carbazole
CID 118067227
2-carbazol-9-yl-5-(4-phenylquinazolin-2-yl)benzo[b]carbazole
CID 146374838
3-(9-phenylcarbazol-3-yl)-9-[4-[4-(4-phenylphenyl)phenyl]quinazolin-2-yl]carbazole
CID 90050965
3-(9-phenylcarbazol-3-yl)-9-[4-(9-phenylcarbazol-3-yl)quinazolin-2-yl]carbazole
CID 118133212

Frequently Asked Questions

What is the IUPAC name of 5-(7-phenyl-4-triphenylen-2-ylquinazolin-2-yl)benzo[b]carbazole?
The IUPAC name of 5-(7-phenyl-4-triphenylen-2-ylquinazolin-2-yl)benzo[b]carbazole (CID 139361644) is 5-(7-phenyl-4-triphenylen-2-ylquinazolin-2-yl)benzo[b]carbazole.
What is the SMILES notation for 5-(7-phenyl-4-triphenylen-2-ylquinazolin-2-yl)benzo[b]carbazole?
The canonical SMILES for 5-(7-phenyl-4-triphenylen-2-ylquinazolin-2-yl)benzo[b]carbazole is c1ccc(-c2ccc3c(-c4ccc5c6ccccc6c6ccccc6c5c4)nc(-n4c5ccccc5c5cc6ccccc6cc54)nc3c2)cc1.
What is the InChIKey of 5-(7-phenyl-4-triphenylen-2-ylquinazolin-2-yl)benzo[b]carbazole?
The InChIKey is YRXUUZOSFDPWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29N3/c1-2-12-30(13-3-1)33-22-25-41-44(28-33)49-48(51-45-21-11-10-20-40(45)43-26-31-14-4-5-15-32(31)29-46(43)51)50-47(41)34-23-24-39-37-18-7-6-16-35(37)36-17-8-9-19-38(36)42(39)27-34/h1-29H.
What are the key properties of 5-(7-phenyl-4-triphenylen-2-ylquinazolin-2-yl)benzo[b]carbazole?
5-(7-phenyl-4-triphenylen-2-ylquinazolin-2-yl)benzo[b]carbazole has a molecular weight of 647.78 g/mol, XLogP of 12.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-phenyl-4-triphenylen-2-ylquinazolin-2-yl)benzo[b]carbazole is sourced from PubChem (CID 139361644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).