3-[9-[3-(4-carbazol-9-ylphenyl)phenyl]-9H-fluoren-3-yl]-9-phenylcarbazole

C55H36N2 — CID 170060039

IUPAC3-[9-[3-(4-carbazol-9-ylphenyl)phenyl]-9H-fluoren-3-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)-c4ccccc4C5c4cccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c4)ccc32)cc1
InChIInChI=1S/C55H36N2/c1-2-15-41(16-3-1)56-53-24-11-8-20-46(53)50-35-39(28-32-54(50)56)38-27-31-48-49(34-38)43-17-4-5-21-47(43)55(48)40-14-12-13-37(33-40)36-25-29-42(30-26-36)57-51-22-9-6-18-44(51)45-19-7-10-23-52(45)57/h1-35,55H
InChIKeyICZGEEFBSMCIMR-UHFFFAOYSA-N
MW724.91 g/mol
LogP14.38
Rot. Bonds5

About 3-[9-[3-(4-carbazol-9-ylphenyl)phenyl]-9H-fluoren-3-yl]-9-phenylcarbazole

3-[9-[3-(4-carbazol-9-ylphenyl)phenyl]-9H-fluoren-3-yl]-9-phenylcarbazole (PubChem CID 170060039) has the molecular formula C55H36N2 and a molecular weight of 724.91 g/mol. Its IUPAC name is 3-[9-[3-(4-carbazol-9-ylphenyl)phenyl]-9H-fluoren-3-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-[3-(4-carbazol-9-ylphenyl)phenyl]-9H-fluoren-3-yl]-9-phenylcarbazole
PubChem CID170060039
Molecular FormulaC55H36N2
Molecular Weight724.91 g/mol
Exact Mass724.29
IUPAC Name3-[9-[3-(4-carbazol-9-ylphenyl)phenyl]-9H-fluoren-3-yl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)-c4ccccc4C5c4cccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c4)ccc32)cc1
InChIInChI=1S/C55H36N2/c1-2-15-41(16-3-1)56-53-24-11-8-20-46(53)50-35-39(28-32-54(50)56)38-27-31-48-49(34-38)43-17-4-5-21-47(43)55(48)40-14-12-13-37(33-40)36-25-29-42(30-26-36)57-51-22-9-6-18-44(51)45-19-7-10-23-52(45)57/h1-35,55H
InChIKeyICZGEEFBSMCIMR-UHFFFAOYSA-N
XLogP14.38
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500724.91
LogP ≤ 514.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(9-phenyl-9H-fluoren-3-yl)-9-(4-phenylphenyl)carbazole
CID 170253658
3-[4-[(9R)-3-(3-carbazol-9-ylphenyl)-9H-fluoren-9-yl]phenyl]-9-(4-phenylphenyl)carbazole
CID 170074676
9-phenyl-3-[3-(9-phenylcarbazol-3-yl)-9H-fluoren-9-yl]carbazole
CID 118423662
3-[9-(3-dibenzofuran-2-ylphenyl)-9H-fluoren-3-yl]-9-phenylcarbazole
CID 126753873
5-naphthalen-2-yl-11-phenyl-2-[9-(3-phenylphenyl)carbazol-3-yl]indolo[3,2-b]carbazole;5-naphthalen-2-yl-7-phenyl-2-[9-(3-phenylphenyl)-9H-fluoren-3-yl]-7H-indeno[2,1-b]carbazole
CID 157209496
3-[4-(9H-fluoren-9-yl)phenyl]-9-[4-[9-[(4-phenylphenyl)methyl]-9H-fluoren-3-yl]phenyl]carbazole
CID 170064226
3-[9-(3,5-diphenylphenyl)-9H-fluoren-3-yl]-9-naphthalen-2-yl-9H-fluorene;3-(9-naphthalen-2-yl-9H-fluoren-3-yl)-9-(3-phenylphenyl)carbazole
CID 161333378
14-phenyl-5-(9-phenyl-9H-fluoren-3-yl)-9-(3-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene;12-phenyl-7-(9-phenyl-9H-fluoren-3-yl)-10-(3-phenylphenyl)-10,12-dihydroindeno[2,1-b]fluorene;11-phenyl-2-(9-phenyl-9H-fluoren-3-yl)-5-(3-phenylphenyl)-11H-indeno[1,2-b]carbazole
CID 158115403
9-[4-(10-phenylanthracen-9-yl)phenyl]-3-[9-[3-(trifluoromethyl)phenyl]-9H-fluoren-3-yl]carbazole
CID 88567746
9-[3-[4-(4-carbazol-9-ylphenyl)-6-[3-(9H-fluoren-9-yl)phenyl]-2-pyridinyl]phenyl]carbazole;9-[3-[6-(3-carbazol-9-ylphenyl)-4-(4-phenylphenyl)-2-pyridinyl]phenyl]carbazole;9-[3-[3-[6-[3-(3-carbazol-9-ylphenyl)phenyl]-4-phenyl-2-pyridinyl]phenyl]phenyl]carbazole;9-[4-[3-[6-[3-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-2-pyridinyl]phenyl]phenyl]carbazole
CID 161277059
4-[3-[9-[4-(3-phenylphenyl)phenyl]carbazol-3-yl]carbazol-9-yl]benzonitrile;9-[4-(3-phenylphenyl)phenyl]-3-[9-(3-tritylphenyl)-9H-fluoren-3-yl]carbazole
CID 157164036
2-methyl-3-[3-[9-(3-phenylphenyl)-9H-fluoren-3-yl]carbazol-9-yl]benzenethiol
CID 170132483

Frequently Asked Questions

What is the IUPAC name of 3-[9-[3-(4-carbazol-9-ylphenyl)phenyl]-9H-fluoren-3-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-[3-(4-carbazol-9-ylphenyl)phenyl]-9H-fluoren-3-yl]-9-phenylcarbazole (CID 170060039) is 3-[9-[3-(4-carbazol-9-ylphenyl)phenyl]-9H-fluoren-3-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-[3-(4-carbazol-9-ylphenyl)phenyl]-9H-fluoren-3-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-[3-(4-carbazol-9-ylphenyl)phenyl]-9H-fluoren-3-yl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)-c4ccccc4C5c4cccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)c4)ccc32)cc1.
What is the InChIKey of 3-[9-[3-(4-carbazol-9-ylphenyl)phenyl]-9H-fluoren-3-yl]-9-phenylcarbazole?
The InChIKey is ICZGEEFBSMCIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N2/c1-2-15-41(16-3-1)56-53-24-11-8-20-46(53)50-35-39(28-32-54(50)56)38-27-31-48-49(34-38)43-17-4-5-21-47(43)55(48)40-14-12-13-37(33-40)36-25-29-42(30-26-36)57-51-22-9-6-18-44(51)45-19-7-10-23-52(45)57/h1-35,55H.
What are the key properties of 3-[9-[3-(4-carbazol-9-ylphenyl)phenyl]-9H-fluoren-3-yl]-9-phenylcarbazole?
3-[9-[3-(4-carbazol-9-ylphenyl)phenyl]-9H-fluoren-3-yl]-9-phenylcarbazole has a molecular weight of 724.91 g/mol, XLogP of 14.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[3-(4-carbazol-9-ylphenyl)phenyl]-9H-fluoren-3-yl]-9-phenylcarbazole is sourced from PubChem (CID 170060039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).