9-phenyl-3-[8-(4-phenyldibenzofuran-2-yl)dibenzothiophen-2-yl]carbazole

C48H29NOS — CID 164838462

IUPAC9-phenyl-3-[8-(4-phenyldibenzofuran-2-yl)dibenzothiophen-2-yl]carbazole
SMILESc1ccc(-c2cc(-c3ccc4sc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c4c3)cc3c2oc2ccccc23)cc1
InChIInChI=1S/C48H29NOS/c1-3-11-30(12-4-1)38-28-34(29-42-37-16-8-10-18-45(37)50-48(38)42)33-21-24-47-41(27-33)40-26-32(20-23-46(40)51-47)31-19-22-44-39(25-31)36-15-7-9-17-43(36)49(44)35-13-5-2-6-14-35/h1-29H
InChIKeyPPURJXNBDXCFNO-UHFFFAOYSA-N
MW667.83 g/mol
LogP14.05
Rot. Bonds4

About 9-phenyl-3-[8-(4-phenyldibenzofuran-2-yl)dibenzothiophen-2-yl]carbazole

9-phenyl-3-[8-(4-phenyldibenzofuran-2-yl)dibenzothiophen-2-yl]carbazole (PubChem CID 164838462) has the molecular formula C48H29NOS and a molecular weight of 667.83 g/mol. Its IUPAC name is 9-phenyl-3-[8-(4-phenyldibenzofuran-2-yl)dibenzothiophen-2-yl]carbazole.

Molecular Properties

Compound Name9-phenyl-3-[8-(4-phenyldibenzofuran-2-yl)dibenzothiophen-2-yl]carbazole
PubChem CID164838462
Molecular FormulaC48H29NOS
Molecular Weight667.83 g/mol
Exact Mass667.20
IUPAC Name9-phenyl-3-[8-(4-phenyldibenzofuran-2-yl)dibenzothiophen-2-yl]carbazole
SMILESc1ccc(-c2cc(-c3ccc4sc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c4c3)cc3c2oc2ccccc23)cc1
InChIInChI=1S/C48H29NOS/c1-3-11-30(12-4-1)38-28-34(29-42-37-16-8-10-18-45(37)50-48(38)42)33-21-24-47-41(27-33)40-26-32(20-23-46(40)51-47)31-19-22-44-39(25-31)36-15-7-9-17-43(36)49(44)35-13-5-2-6-14-35/h1-29H
InChIKeyPPURJXNBDXCFNO-UHFFFAOYSA-N
XLogP14.05
TPSA18.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500667.83
LogP ≤ 514.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,9-diphenyl-6-[8-[3-(3-phenylphenyl)phenyl]dibenzothiophen-2-yl]carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)-6-[4-[3-[3-(3-phenylphenyl)phenyl]phenyl]dibenzofuran-2-yl]carbazole;9-phenyl-3-[8-[3-(3-phenylphenyl)phenyl]dibenzofuran-2-yl]carbazole;9-phenyl-3-[8-[3-(3-phenylphenyl)phenyl]dibenzothiophen-2-yl]carbazole;9-phenyl-3-[4-[8-[3-(3-phenylphenyl)phenyl]dibenzothiophen-2-yl]phenyl]carbazole
CID 161276465
3-[4-dibenzofuran-2-yl-8-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 118565404
9-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-3-dibenzothiophen-2-ylcarbazole
CID 121449399
4-(4-carbazol-9-ylphenyl)-N,N-diphenyldibenzofuran-2-amine;4-dibenzothiophen-2-yl-N,N-diphenyldibenzofuran-2-amine;N,N-diphenyl-4-(9-phenylcarbazol-3-yl)dibenzofuran-2-amine
CID 159548783
3-dibenzofuran-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-phenylcarbazole;3-dibenzothiophen-2-yl-9-(4-phenylphenyl)carbazole
CID 160651391
3-[9-[8-(9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14,16,18-nonaen-5-yl)dibenzothiophen-2-yl]carbazol-3-yl]-9-phenylcarbazole
CID 142383745
9-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(4-phenyldibenzofuran-2-yl)carbazole
CID 167309630
3-[3-[3-(4-dibenzofuran-4-ylphenyl)phenyl]phenyl]-9-phenylcarbazole
CID 121262432
3-[2-(2-carbazol-9-yldibenzothiophen-4-yl)dibenzofuran-4-yl]-9-phenylcarbazole
CID 58059046
3-dibenzofuran-2-yl-6-dibenzothiophen-2-yl-9-phenylcarbazole
CID 122451698
4-(4-carbazol-9-ylphenyl)-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine;4-dibenzothiophen-2-yl-N,N-bis(4-phenylphenyl)dibenzofuran-2-amine
CID 157317225
9-dibenzofuran-2-yl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;9-dibenzothiophen-2-yl-3,6-bis(9-phenylcarbazol-3-yl)carbazole;3,6,9-tris(9-phenylcarbazol-3-yl)carbazole
CID 161382413

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-[8-(4-phenyldibenzofuran-2-yl)dibenzothiophen-2-yl]carbazole?
The IUPAC name of 9-phenyl-3-[8-(4-phenyldibenzofuran-2-yl)dibenzothiophen-2-yl]carbazole (CID 164838462) is 9-phenyl-3-[8-(4-phenyldibenzofuran-2-yl)dibenzothiophen-2-yl]carbazole.
What is the SMILES notation for 9-phenyl-3-[8-(4-phenyldibenzofuran-2-yl)dibenzothiophen-2-yl]carbazole?
The canonical SMILES for 9-phenyl-3-[8-(4-phenyldibenzofuran-2-yl)dibenzothiophen-2-yl]carbazole is c1ccc(-c2cc(-c3ccc4sc5ccc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)cc5c4c3)cc3c2oc2ccccc23)cc1.
What is the InChIKey of 9-phenyl-3-[8-(4-phenyldibenzofuran-2-yl)dibenzothiophen-2-yl]carbazole?
The InChIKey is PPURJXNBDXCFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H29NOS/c1-3-11-30(12-4-1)38-28-34(29-42-37-16-8-10-18-45(37)50-48(38)42)33-21-24-47-41(27-33)40-26-32(20-23-46(40)51-47)31-19-22-44-39(25-31)36-15-7-9-17-43(36)49(44)35-13-5-2-6-14-35/h1-29H.
What are the key properties of 9-phenyl-3-[8-(4-phenyldibenzofuran-2-yl)dibenzothiophen-2-yl]carbazole?
9-phenyl-3-[8-(4-phenyldibenzofuran-2-yl)dibenzothiophen-2-yl]carbazole has a molecular weight of 667.83 g/mol, XLogP of 14.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-[8-(4-phenyldibenzofuran-2-yl)dibenzothiophen-2-yl]carbazole is sourced from PubChem (CID 164838462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).