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

C49H32N2 — CID 145060053

IUPAC9-[3-[1-(3-carbazol-9-ylphenyl)-9H-fluoren-3-yl]phenyl]carbazole
SMILESc1cc(-c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c3c(c2)-c2ccccc2C3)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C49H32N2/c1-2-18-38-34(13-1)29-45-43(33-15-12-17-37(28-33)51-48-25-9-5-21-41(48)42-22-6-10-26-49(42)51)30-35(31-44(38)45)32-14-11-16-36(27-32)50-46-23-7-3-19-39(46)40-20-4-8-24-47(40)50/h1-28,30-31H,29H2
InChIKeyPWYHTJUFOWUJRZ-UHFFFAOYSA-N
MW648.81 g/mol
LogP12.79
Rot. Bonds4

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

9-[3-[1-(3-carbazol-9-ylphenyl)-9H-fluoren-3-yl]phenyl]carbazole (PubChem CID 145060053) has the molecular formula C49H32N2 and a molecular weight of 648.81 g/mol. Its IUPAC name is 9-[3-[1-(3-carbazol-9-ylphenyl)-9H-fluoren-3-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[3-[1-(3-carbazol-9-ylphenyl)-9H-fluoren-3-yl]phenyl]carbazole
PubChem CID145060053
Molecular FormulaC49H32N2
Molecular Weight648.81 g/mol
Exact Mass648.26
IUPAC Name9-[3-[1-(3-carbazol-9-ylphenyl)-9H-fluoren-3-yl]phenyl]carbazole
SMILESc1cc(-c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c3c(c2)-c2ccccc2C3)cc(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C49H32N2/c1-2-18-38-34(13-1)29-45-43(33-15-12-17-37(28-33)51-48-25-9-5-21-41(48)42-22-6-10-26-49(42)51)30-35(31-44(38)45)32-14-11-16-36(27-32)50-46-23-7-3-19-39(46)40-20-4-8-24-47(40)50/h1-28,30-31H,29H2
InChIKeyPWYHTJUFOWUJRZ-UHFFFAOYSA-N
XLogP12.79
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500648.81
LogP ≤ 512.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-carbazol-9-yl-9-[1-[3-(4-phenylphenyl)phenyl]-9H-fluoren-3-yl]carbazole
CID 118346460
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-(3-carbazol-9-ylphenyl)phenyl]carbazole
CID 23386664
9-[8-(3-triphenylen-2-ylphenyl)-9H-fluoren-3-yl]carbazole
CID 130409444
7-[4-(9H-fluoren-1-yl)phenyl]-2,5-diphenylindolo[2,3-b]carbazole
CID 126580464
[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
2-[3-[1-[3-(4-phenylphenyl)phenyl]-9H-fluoren-3-yl]phenyl]triphenylene
CID 159018223
9-[3-[4-[4-[4-(3-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]phenyl]carbazole
CID 118041263
9-(3-bromophenyl)-10-phenylanthracene;9H-fluorene;9-[3-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 159545933
3-(9H-fluoren-1-yl)-9-[3-[4-[3-methyl-2-(2-methylphenyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 145016968
9-phenyl-14-[3-[8-(3-phenylphenyl)-9H-fluoren-1-yl]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 134488188

Frequently Asked Questions

What is the IUPAC name of 9-[3-[1-(3-carbazol-9-ylphenyl)-9H-fluoren-3-yl]phenyl]carbazole?
The IUPAC name of 9-[3-[1-(3-carbazol-9-ylphenyl)-9H-fluoren-3-yl]phenyl]carbazole (CID 145060053) is 9-[3-[1-(3-carbazol-9-ylphenyl)-9H-fluoren-3-yl]phenyl]carbazole.
What is the SMILES notation for 9-[3-[1-(3-carbazol-9-ylphenyl)-9H-fluoren-3-yl]phenyl]carbazole?
The canonical SMILES for 9-[3-[1-(3-carbazol-9-ylphenyl)-9H-fluoren-3-yl]phenyl]carbazole is c1cc(-c2cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c3c(c2)-c2ccccc2C3)cc(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 9-[3-[1-(3-carbazol-9-ylphenyl)-9H-fluoren-3-yl]phenyl]carbazole?
The InChIKey is PWYHTJUFOWUJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N2/c1-2-18-38-34(13-1)29-45-43(33-15-12-17-37(28-33)51-48-25-9-5-21-41(48)42-22-6-10-26-49(42)51)30-35(31-44(38)45)32-14-11-16-36(27-32)50-46-23-7-3-19-39(46)40-20-4-8-24-47(40)50/h1-28,30-31H,29H2.
What are the key properties of 9-[3-[1-(3-carbazol-9-ylphenyl)-9H-fluoren-3-yl]phenyl]carbazole?
9-[3-[1-(3-carbazol-9-ylphenyl)-9H-fluoren-3-yl]phenyl]carbazole has a molecular weight of 648.81 g/mol, XLogP of 12.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-[1-(3-carbazol-9-ylphenyl)-9H-fluoren-3-yl]phenyl]carbazole is sourced from PubChem (CID 145060053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).