3-carbazol-9-yl-9-[1-[3-(4-phenylphenyl)phenyl]-9H-fluoren-3-yl]carbazole

C55H36N2 — CID 118346460

IUPAC3-carbazol-9-yl-9-[1-[3-(4-phenylphenyl)phenyl]-9H-fluoren-3-yl]carbazole
SMILESc1ccc(-c2ccc(-c3cccc(-c4cc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc5c4Cc4ccccc4-5)c3)cc2)cc1
InChIInChI=1S/C55H36N2/c1-2-13-36(14-3-1)37-25-27-38(28-26-37)39-16-12-17-40(31-39)48-34-43(35-50-44-18-5-4-15-41(44)32-49(48)50)57-54-24-11-8-21-47(54)51-33-42(29-30-55(51)57)56-52-22-9-6-19-45(52)46-20-7-10-23-53(46)56/h1-31,33-35H,32H2
InChIKeyOJWNFJMYZRJQTO-UHFFFAOYSA-N
MW724.91 g/mol
LogP14.45
Rot. Bonds5

About 3-carbazol-9-yl-9-[1-[3-(4-phenylphenyl)phenyl]-9H-fluoren-3-yl]carbazole

3-carbazol-9-yl-9-[1-[3-(4-phenylphenyl)phenyl]-9H-fluoren-3-yl]carbazole (PubChem CID 118346460) has the molecular formula C55H36N2 and a molecular weight of 724.91 g/mol. Its IUPAC name is 3-carbazol-9-yl-9-[1-[3-(4-phenylphenyl)phenyl]-9H-fluoren-3-yl]carbazole.

Molecular Properties

Compound Name3-carbazol-9-yl-9-[1-[3-(4-phenylphenyl)phenyl]-9H-fluoren-3-yl]carbazole
PubChem CID118346460
Molecular FormulaC55H36N2
Molecular Weight724.91 g/mol
Exact Mass724.29
IUPAC Name3-carbazol-9-yl-9-[1-[3-(4-phenylphenyl)phenyl]-9H-fluoren-3-yl]carbazole
SMILESc1ccc(-c2ccc(-c3cccc(-c4cc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc5c4Cc4ccccc4-5)c3)cc2)cc1
InChIInChI=1S/C55H36N2/c1-2-13-36(14-3-1)37-25-27-38(28-26-37)39-16-12-17-40(31-39)48-34-43(35-50-44-18-5-4-15-41(44)32-49(48)50)57-54-24-11-8-21-47(54)51-33-42(29-30-55(51)57)56-52-22-9-6-19-45(52)46-20-7-10-23-53(46)56/h1-31,33-35H,32H2
InChIKeyOJWNFJMYZRJQTO-UHFFFAOYSA-N
XLogP14.45
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 ≤ 514.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-(1-phenyl-9H-fluoren-3-yl)-14-[3-(4-phenylphenyl)phenyl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 134488174
9-[3-[1-(3-carbazol-9-ylphenyl)-9H-fluoren-3-yl]phenyl]carbazole
CID 145060053
3-carbazol-9-yl-9-[8-[3-(4-phenylphenyl)phenyl]-9H-fluoren-1-yl]carbazole;9-[5-[3-(4-phenylphenyl)phenyl]-9H-fluoren-1-yl]carbazole;9-[8-[3-(4-phenylphenyl)phenyl]-9H-fluoren-3-yl]carbazole
CID 158848481
7-[4-(9H-fluoren-1-yl)phenyl]-2,5-diphenylindolo[2,3-b]carbazole
CID 126580464
9-[3,4-bis(3-phenylphenyl)phenyl]-3-carbazol-9-ylcarbazole;3-carbazol-9-yl-9-[3-(3,5-diphenylphenyl)-5-(3-phenylphenyl)phenyl]carbazole;3-carbazol-9-yl-9-[3-(3,5-diphenylphenyl)-5-(4-phenylphenyl)phenyl]carbazole
CID 159370962
9-[8-(3-triphenylen-2-ylphenyl)-9H-fluoren-3-yl]carbazole
CID 130409444
3-(9H-fluoren-4-yl)-6-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 130230877
[1-(9-phenylcarbazol-3-yl)-9H-fluoren-3-yl]methanamine
CID 146336050
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
3-carbazol-9-yl-9-[3-phenyl-5-[3-[9-[9-(4-phenylphenyl)carbazol-3-yl]carbazol-3-yl]phenyl]phenyl]carbazole
CID 138601418
N-[4-(9H-fluoren-1-yl)phenyl]-4-(9-phenylcarbazol-3-yl)aniline
CID 155138336
3-[9-(9H-fluoren-1-yl)carbazol-3-yl]-9-(4-phenylnaphthalen-2-yl)carbazole
CID 167043378

Frequently Asked Questions

What is the IUPAC name of 3-carbazol-9-yl-9-[1-[3-(4-phenylphenyl)phenyl]-9H-fluoren-3-yl]carbazole?
The IUPAC name of 3-carbazol-9-yl-9-[1-[3-(4-phenylphenyl)phenyl]-9H-fluoren-3-yl]carbazole (CID 118346460) is 3-carbazol-9-yl-9-[1-[3-(4-phenylphenyl)phenyl]-9H-fluoren-3-yl]carbazole.
What is the SMILES notation for 3-carbazol-9-yl-9-[1-[3-(4-phenylphenyl)phenyl]-9H-fluoren-3-yl]carbazole?
The canonical SMILES for 3-carbazol-9-yl-9-[1-[3-(4-phenylphenyl)phenyl]-9H-fluoren-3-yl]carbazole is c1ccc(-c2ccc(-c3cccc(-c4cc(-n5c6ccccc6c6cc(-n7c8ccccc8c8ccccc87)ccc65)cc5c4Cc4ccccc4-5)c3)cc2)cc1.
What is the InChIKey of 3-carbazol-9-yl-9-[1-[3-(4-phenylphenyl)phenyl]-9H-fluoren-3-yl]carbazole?
The InChIKey is OJWNFJMYZRJQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H36N2/c1-2-13-36(14-3-1)37-25-27-38(28-26-37)39-16-12-17-40(31-39)48-34-43(35-50-44-18-5-4-15-41(44)32-49(48)50)57-54-24-11-8-21-47(54)51-33-42(29-30-55(51)57)56-52-22-9-6-19-45(52)46-20-7-10-23-53(46)56/h1-31,33-35H,32H2.
What are the key properties of 3-carbazol-9-yl-9-[1-[3-(4-phenylphenyl)phenyl]-9H-fluoren-3-yl]carbazole?
3-carbazol-9-yl-9-[1-[3-(4-phenylphenyl)phenyl]-9H-fluoren-3-yl]carbazole has a molecular weight of 724.91 g/mol, XLogP of 14.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carbazol-9-yl-9-[1-[3-(4-phenylphenyl)phenyl]-9H-fluoren-3-yl]carbazole is sourced from PubChem (CID 118346460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).