3-[9-[[4-(9H-fluoren-1-yl)phenyl]methyl]dibenzothiophen-2-yl]-9-phenylcarbazole

C50H33NS — CID 155000871

IUPAC3-[9-[[4-(9H-fluoren-1-yl)phenyl]methyl]dibenzothiophen-2-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5sc6cccc(Cc7ccc(-c8cccc9c8Cc8ccccc8-9)cc7)c6c5c4)ccc32)cc1
InChIInChI=1S/C50H33NS/c1-2-12-38(13-3-1)51-46-18-7-6-15-42(46)44-29-34(24-26-47(44)51)35-25-27-48-45(30-35)50-37(11-8-19-49(50)52-48)28-32-20-22-33(23-21-32)39-16-9-17-41-40-14-5-4-10-36(40)31-43(39)41/h1-27,29-30H,28,31H2
InChIKeyPQVPVWZGGGPNJM-UHFFFAOYSA-N
MW679.89 g/mol
LogP13.65
Rot. Bonds5

About 3-[9-[[4-(9H-fluoren-1-yl)phenyl]methyl]dibenzothiophen-2-yl]-9-phenylcarbazole

3-[9-[[4-(9H-fluoren-1-yl)phenyl]methyl]dibenzothiophen-2-yl]-9-phenylcarbazole (PubChem CID 155000871) has the molecular formula C50H33NS and a molecular weight of 679.89 g/mol. Its IUPAC name is 3-[9-[[4-(9H-fluoren-1-yl)phenyl]methyl]dibenzothiophen-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-[[4-(9H-fluoren-1-yl)phenyl]methyl]dibenzothiophen-2-yl]-9-phenylcarbazole
PubChem CID155000871
Molecular FormulaC50H33NS
Molecular Weight679.89 g/mol
Exact Mass679.23
IUPAC Name3-[9-[[4-(9H-fluoren-1-yl)phenyl]methyl]dibenzothiophen-2-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5sc6cccc(Cc7ccc(-c8cccc9c8Cc8ccccc8-9)cc7)c6c5c4)ccc32)cc1
InChIInChI=1S/C50H33NS/c1-2-12-38(13-3-1)51-46-18-7-6-15-42(46)44-29-34(24-26-47(44)51)35-25-27-48-45(30-35)50-37(11-8-19-49(50)52-48)28-32-20-22-33(23-21-32)39-16-9-17-41-40-14-5-4-10-36(40)31-43(39)41/h1-27,29-30H,28,31H2
InChIKeyPQVPVWZGGGPNJM-UHFFFAOYSA-N
XLogP13.65
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.89
LogP ≤ 513.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-[4-(9H-fluoren-1-yl)phenyl]-2,5-diphenylindolo[2,3-b]carbazole
CID 126580464
N-[4-(9H-fluoren-1-yl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline
CID 155138336
3-(9-phenylcarbazol-3-yl)-9-[9-(4-phenylphenyl)dibenzothiophen-2-yl]carbazole
CID 177077251
3-[4-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzothiophen-1-yl]phenyl]-9-phenylcarbazole
CID 154602021
3-[9-[4-(9H-fluoren-3-yl)-6-phenyl-1,3,5-triazin-2-yl]dibenzothiophen-2-yl]-9-(3-phenylphenyl)carbazole
CID 169297724
3-(8-dibenzothiophen-2-yldibenzothiophen-2-yl)-9-phenylcarbazole
CID 138474901
(Z)-1-[3-(6-dibenzothiophen-2-yl-9-phenylcarbazol-3-yl)phenyl]-2-(9H-fluoren-1-yl)ethenamine
CID 145167560
9-phenyl-3-[4-phenyl-6-(8-phenyldibenzothiophen-1-yl)-1,3,5-triazin-2-yl]carbazole
CID 163512254
2-[9-(9H-fluoren-1-yl)carbazol-3-yl]-9-phenylcarbazole
CID 121241625
3,6-di(dibenzothiophen-2-yl)-9-phenylcarbazole
CID 135131439
3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(4-dibenzothiophen-2-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole;3-[9-(4-dibenzothiophen-4-ylphenyl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 159577303
3-[16-(3,5-diphenylphenyl)-10-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaenyl]-9-phenylcarbazole
CID 161059724

Frequently Asked Questions

What is the IUPAC name of 3-[9-[[4-(9H-fluoren-1-yl)phenyl]methyl]dibenzothiophen-2-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-[[4-(9H-fluoren-1-yl)phenyl]methyl]dibenzothiophen-2-yl]-9-phenylcarbazole (CID 155000871) is 3-[9-[[4-(9H-fluoren-1-yl)phenyl]methyl]dibenzothiophen-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-[[4-(9H-fluoren-1-yl)phenyl]methyl]dibenzothiophen-2-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-[[4-(9H-fluoren-1-yl)phenyl]methyl]dibenzothiophen-2-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5sc6cccc(Cc7ccc(-c8cccc9c8Cc8ccccc8-9)cc7)c6c5c4)ccc32)cc1.
What is the InChIKey of 3-[9-[[4-(9H-fluoren-1-yl)phenyl]methyl]dibenzothiophen-2-yl]-9-phenylcarbazole?
The InChIKey is PQVPVWZGGGPNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33NS/c1-2-12-38(13-3-1)51-46-18-7-6-15-42(46)44-29-34(24-26-47(44)51)35-25-27-48-45(30-35)50-37(11-8-19-49(50)52-48)28-32-20-22-33(23-21-32)39-16-9-17-41-40-14-5-4-10-36(40)31-43(39)41/h1-27,29-30H,28,31H2.
What are the key properties of 3-[9-[[4-(9H-fluoren-1-yl)phenyl]methyl]dibenzothiophen-2-yl]-9-phenylcarbazole?
3-[9-[[4-(9H-fluoren-1-yl)phenyl]methyl]dibenzothiophen-2-yl]-9-phenylcarbazole has a molecular weight of 679.89 g/mol, XLogP of 13.65, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[[4-(9H-fluoren-1-yl)phenyl]methyl]dibenzothiophen-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 155000871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).