4-phenyl-2-[9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzothiophen-4-yl]quinazoline

C46H28N4S — CID 155328859

IUPAC4-phenyl-2-[9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzothiophen-4-yl]quinazoline
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc5sc6c(-c7nc(-c8ccccc8)c8ccccc8n7)cccc6c45)nc4ccccc34)cc2)cc1
InChIInChI=1S/C46H28N4S/c1-3-13-29(14-4-1)30-25-27-32(28-26-30)43-34-18-8-9-22-38(34)47-45(49-43)36-20-12-24-40-41(36)35-19-11-21-37(44(35)51-40)46-48-39-23-10-7-17-33(39)42(50-46)31-15-5-2-6-16-31/h1-28H
InChIKeyKACABOLNIJKDLY-UHFFFAOYSA-N
MW668.83 g/mol
LogP12.28
Rot. Bonds5

About 4-phenyl-2-[9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzothiophen-4-yl]quinazoline

4-phenyl-2-[9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzothiophen-4-yl]quinazoline (PubChem CID 155328859) has the molecular formula C46H28N4S and a molecular weight of 668.83 g/mol. Its IUPAC name is 4-phenyl-2-[9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzothiophen-4-yl]quinazoline.

Molecular Properties

Compound Name4-phenyl-2-[9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzothiophen-4-yl]quinazoline
PubChem CID155328859
Molecular FormulaC46H28N4S
Molecular Weight668.83 g/mol
Exact Mass668.20
IUPAC Name4-phenyl-2-[9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzothiophen-4-yl]quinazoline
SMILESc1ccc(-c2ccc(-c3nc(-c4cccc5sc6c(-c7nc(-c8ccccc8)c8ccccc8n7)cccc6c45)nc4ccccc34)cc2)cc1
InChIInChI=1S/C46H28N4S/c1-3-13-29(14-4-1)30-25-27-32(28-26-30)43-34-18-8-9-22-38(34)47-45(49-43)36-20-12-24-40-41(36)35-19-11-21-37(44(35)51-40)46-48-39-23-10-7-17-33(39)42(50-46)31-15-5-2-6-16-31/h1-28H
InChIKeyKACABOLNIJKDLY-UHFFFAOYSA-N
XLogP12.28
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.83
LogP ≤ 512.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]-4-phenylquinazoline
CID 163677058
4-phenyl-2-(23-thiahexacyclo[12.7.1.16,9.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14(22),15,17,19-undecaen-17-yl)quinazoline
CID 164840614
2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-2-yl]-4-phenylquinazoline
CID 149314451
2-phenyl-4-[4-[6-[4-(2-phenylquinazolin-4-yl)phenyl]dibenzothiophen-2-yl]phenyl]quinazoline
CID 155328667
N,4-diphenyl-N-[4-[4-(4-phenylquinazolin-2-yl)dibenzothiophen-1-yl]phenyl]aniline
CID 170253269
N-(3-phenylphenyl)-N-(4-phenylphenyl)-9-(4-phenylquinazolin-2-yl)dibenzothiophen-3-amine
CID 169281011
4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]-2-(4-phenylphenyl)-[1]benzothiolo[3,2-d]pyrimidine
CID 153309320
N,N-bis(4-phenylphenyl)-9-[2-(4-phenylquinazolin-2-yl)phenyl]dibenzothiophen-3-amine
CID 169280902
4-phenyl-2-(3-thiahexacyclo[15.8.0.02,10.04,9.011,16.020,25]pentacosa-1(17),2(10),4,6,8,11,13,15,18,20,22,24-dodecaen-19-yl)quinazoline
CID 154595766
2-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-4-yl]phenyl]-1,3-benzothiazole;2-[4-[9-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzothiophen-4-yl]phenyl]-1,3-benzothiazole
CID 159333443
6-[3-[4-(4-phenylphenyl)quinazolin-2-yl]phenyl]-[1]benzothiolo[3,2-c]quinoline
CID 129086221
5-(4-dibenzothiophen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-14-phenyl-3-thia-15-azapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaene
CID 166009995

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-[9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzothiophen-4-yl]quinazoline?
The IUPAC name of 4-phenyl-2-[9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzothiophen-4-yl]quinazoline (CID 155328859) is 4-phenyl-2-[9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzothiophen-4-yl]quinazoline.
What is the SMILES notation for 4-phenyl-2-[9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzothiophen-4-yl]quinazoline?
The canonical SMILES for 4-phenyl-2-[9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzothiophen-4-yl]quinazoline is c1ccc(-c2ccc(-c3nc(-c4cccc5sc6c(-c7nc(-c8ccccc8)c8ccccc8n7)cccc6c45)nc4ccccc34)cc2)cc1.
What is the InChIKey of 4-phenyl-2-[9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzothiophen-4-yl]quinazoline?
The InChIKey is KACABOLNIJKDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N4S/c1-3-13-29(14-4-1)30-25-27-32(28-26-30)43-34-18-8-9-22-38(34)47-45(49-43)36-20-12-24-40-41(36)35-19-11-21-37(44(35)51-40)46-48-39-23-10-7-17-33(39)42(50-46)31-15-5-2-6-16-31/h1-28H.
What are the key properties of 4-phenyl-2-[9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzothiophen-4-yl]quinazoline?
4-phenyl-2-[9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzothiophen-4-yl]quinazoline has a molecular weight of 668.83 g/mol, XLogP of 12.28, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-[9-[4-(4-phenylphenyl)quinazolin-2-yl]dibenzothiophen-4-yl]quinazoline is sourced from PubChem (CID 155328859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).