1-naphtho[2,1-b][1]benzothiol-10-yl-9-(4-phenylquinazolin-2-yl)carbazole

C42H25N3S — CID 142572129

IUPAC1-naphtho[2,1-b][1]benzothiol-10-yl-9-(4-phenylquinazolin-2-yl)carbazole
SMILESc1ccc(-c2nc(-n3c4ccccc4c4cccc(-c5ccc6sc7ccc8ccccc8c7c6c5)c43)nc3ccccc23)cc1
InChIInChI=1S/C42H25N3S/c1-2-12-27(13-3-1)40-33-16-6-8-19-35(33)43-42(44-40)45-36-20-9-7-15-31(36)32-18-10-17-30(41(32)45)28-22-23-37-34(25-28)39-29-14-5-4-11-26(29)21-24-38(39)46-37/h1-25H
InChIKeyMKNLQEKDCKROIT-UHFFFAOYSA-N
MW603.75 g/mol
LogP11.58
Rot. Bonds3

About 1-naphtho[2,1-b][1]benzothiol-10-yl-9-(4-phenylquinazolin-2-yl)carbazole

1-naphtho[2,1-b][1]benzothiol-10-yl-9-(4-phenylquinazolin-2-yl)carbazole (PubChem CID 142572129) has the molecular formula C42H25N3S and a molecular weight of 603.75 g/mol. Its IUPAC name is 1-naphtho[2,1-b][1]benzothiol-10-yl-9-(4-phenylquinazolin-2-yl)carbazole.

Molecular Properties

Compound Name1-naphtho[2,1-b][1]benzothiol-10-yl-9-(4-phenylquinazolin-2-yl)carbazole
PubChem CID142572129
Molecular FormulaC42H25N3S
Molecular Weight603.75 g/mol
Exact Mass603.18
IUPAC Name1-naphtho[2,1-b][1]benzothiol-10-yl-9-(4-phenylquinazolin-2-yl)carbazole
SMILESc1ccc(-c2nc(-n3c4ccccc4c4cccc(-c5ccc6sc7ccc8ccccc8c7c6c5)c43)nc3ccccc23)cc1
InChIInChI=1S/C42H25N3S/c1-2-12-27(13-3-1)40-33-16-6-8-19-35(33)43-42(44-40)45-36-20-9-7-15-31(36)32-18-10-17-30(41(32)45)28-22-23-37-34(25-28)39-29-14-5-4-11-26(29)21-24-38(39)46-37/h1-25H
InChIKeyMKNLQEKDCKROIT-UHFFFAOYSA-N
XLogP11.58
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.75
LogP ≤ 511.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

9-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]-1-naphtho[2,1-b][1]benzothiol-9-ylcarbazole
CID 142570384
9-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-naphtho[2,1-b][1]benzothiol-10-ylcarbazole
CID 142570234
9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-1-naphtho[2,1-b][1]benzothiol-10-ylcarbazole
CID 142571631
1-naphtho[2,1-b][1]benzothiol-10-yl-9-(3-phenylquinoxalin-2-yl)carbazole
CID 142571936
1-(3-dibenzothiophen-2-ylphenyl)-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
CID 142568439
1-[3-(3-dibenzothiophen-2-ylphenyl)phenyl]-6-phenyl-9-(4-phenylquinazolin-2-yl)carbazole
CID 142568323
3-[9-(9-phenylcarbazol-3-yl)dibenzothiophen-2-yl]-9-(4-phenylquinazolin-2-yl)carbazole
CID 138475093
5-(4-naphthalen-1-ylquinazolin-2-yl)-4-naphtho[2,1-b][1]benzothiol-9-ylbenzo[b]carbazole
CID 142570472
4-dibenzothiophen-2-yl-5-[4-(4-naphthalen-1-ylphenyl)quinazolin-2-yl]benzo[b]carbazole
CID 142570761
12-[4-(4-dibenzothiophen-4-ylphenyl)quinazolin-2-yl]-[1]benzothiolo[3,2-a]carbazole
CID 71291222
8-(3-dibenzothiophen-4-ylphenyl)-7-(4-phenylquinazolin-2-yl)benzo[c]carbazole
CID 145419218
10-dibenzothiophen-4-yl-7-[4-(4-phenylphenyl)quinazolin-2-yl]benzo[c]carbazole
CID 168730639

Frequently Asked Questions

What is the IUPAC name of 1-naphtho[2,1-b][1]benzothiol-10-yl-9-(4-phenylquinazolin-2-yl)carbazole?
The IUPAC name of 1-naphtho[2,1-b][1]benzothiol-10-yl-9-(4-phenylquinazolin-2-yl)carbazole (CID 142572129) is 1-naphtho[2,1-b][1]benzothiol-10-yl-9-(4-phenylquinazolin-2-yl)carbazole.
What is the SMILES notation for 1-naphtho[2,1-b][1]benzothiol-10-yl-9-(4-phenylquinazolin-2-yl)carbazole?
The canonical SMILES for 1-naphtho[2,1-b][1]benzothiol-10-yl-9-(4-phenylquinazolin-2-yl)carbazole is c1ccc(-c2nc(-n3c4ccccc4c4cccc(-c5ccc6sc7ccc8ccccc8c7c6c5)c43)nc3ccccc23)cc1.
What is the InChIKey of 1-naphtho[2,1-b][1]benzothiol-10-yl-9-(4-phenylquinazolin-2-yl)carbazole?
The InChIKey is MKNLQEKDCKROIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H25N3S/c1-2-12-27(13-3-1)40-33-16-6-8-19-35(33)43-42(44-40)45-36-20-9-7-15-31(36)32-18-10-17-30(41(32)45)28-22-23-37-34(25-28)39-29-14-5-4-11-26(29)21-24-38(39)46-37/h1-25H.
What are the key properties of 1-naphtho[2,1-b][1]benzothiol-10-yl-9-(4-phenylquinazolin-2-yl)carbazole?
1-naphtho[2,1-b][1]benzothiol-10-yl-9-(4-phenylquinazolin-2-yl)carbazole has a molecular weight of 603.75 g/mol, XLogP of 11.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphtho[2,1-b][1]benzothiol-10-yl-9-(4-phenylquinazolin-2-yl)carbazole is sourced from PubChem (CID 142572129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).