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

C49H32N2 — CID 164800354

IUPAC4-carbazol-9-yl-9-[3-[3-(9H-fluoren-9-yl)phenyl]phenyl]carbazole
SMILESc1cc(-c2cccc(-n3c4ccccc4c4c(-n5c6ccccc6c6ccccc65)cccc43)c2)cc(C2c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C49H32N2/c1-3-22-40-36(18-1)37-19-2-4-23-41(37)48(40)34-16-11-14-32(30-34)33-15-12-17-35(31-33)50-45-27-10-7-24-42(45)49-46(50)28-13-29-47(49)51-43-25-8-5-20-38(43)39-21-6-9-26-44(39)51/h1-31,48H
InChIKeyKOPVHPHYTJJQRE-UHFFFAOYSA-N
MW648.81 g/mol
LogP12.71
Rot. Bonds4

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

4-carbazol-9-yl-9-[3-[3-(9H-fluoren-9-yl)phenyl]phenyl]carbazole (PubChem CID 164800354) has the molecular formula C49H32N2 and a molecular weight of 648.81 g/mol. Its IUPAC name is 4-carbazol-9-yl-9-[3-[3-(9H-fluoren-9-yl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name4-carbazol-9-yl-9-[3-[3-(9H-fluoren-9-yl)phenyl]phenyl]carbazole
PubChem CID164800354
Molecular FormulaC49H32N2
Molecular Weight648.81 g/mol
Exact Mass648.26
IUPAC Name4-carbazol-9-yl-9-[3-[3-(9H-fluoren-9-yl)phenyl]phenyl]carbazole
SMILESc1cc(-c2cccc(-n3c4ccccc4c4c(-n5c6ccccc6c6ccccc65)cccc43)c2)cc(C2c3ccccc3-c3ccccc32)c1
InChIInChI=1S/C49H32N2/c1-3-22-40-36(18-1)37-19-2-4-23-41(37)48(40)34-16-11-14-32(30-34)33-15-12-17-35(31-33)50-45-27-10-7-24-42(45)49-46(50)28-13-29-47(49)51-43-25-8-5-20-38(43)39-21-6-9-26-44(39)51/h1-31,48H
InChIKeyKOPVHPHYTJJQRE-UHFFFAOYSA-N
XLogP12.71
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 ≤ 512.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-carbazol-9-yl-9-[3-(4-carbazol-9-ylcarbazol-9-yl)phenyl]carbazole;4-carbazol-9-yl-9-[3-(4-carbazol-9-ylcarbazol-9-yl)phenyl]carbazole;4-carbazol-9-yl-9-[3-[3-(9H-fluoren-9-yl)phenyl]phenyl]carbazole;methane
CID 165101963
4-(3-phenylphenyl)-9-[9-(3-phenylphenyl)carbazol-4-yl]carbazole
CID 171457959
5-phenyl-12-[3-[3-[3-(5-phenyl-12H-indeno[1,2-c]carbazol-12-yl)phenyl]phenyl]phenyl]indolo[3,2-c]carbazole
CID 58038425
4-phenyl-9-(9-phenyl-9H-fluoren-3-yl)carbazole
CID 171458068
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
3-[9-[3-(4-carbazol-9-ylphenyl)phenyl]-9H-fluoren-3-yl]-9-phenylcarbazole
CID 170060039
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
2-carbazol-9-yl-9-[9-[3-(4-phenylphenyl)phenyl]carbazol-4-yl]carbazole
CID 170374188
9-[3-[4-carbazol-9-yl-2-(9H-fluoren-9-yl)phenyl]phenyl]carbazole;9-[2-(2-carbazol-9-ylphenyl)phenyl]carbazole;9-[2-(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole
CID 158463997
9-(2-phenylphenyl)-4-[9-(3-phenylphenyl)carbazol-4-yl]carbazole
CID 138474938
N-[4-[4-(3-carbazol-9-yl-N-(3-carbazol-9-ylphenyl)anilino)phenyl]phenyl]-N-(3-carbazol-9-ylphenyl)-3-(9H-fluoren-9-yl)aniline
CID 88881400
4-carbazol-9-yl-9-[9-[3-phenyl-5-(3-phenylphenyl)phenyl]carbazol-4-yl]carbazole
CID 170659856

Frequently Asked Questions

What is the IUPAC name of 4-carbazol-9-yl-9-[3-[3-(9H-fluoren-9-yl)phenyl]phenyl]carbazole?
The IUPAC name of 4-carbazol-9-yl-9-[3-[3-(9H-fluoren-9-yl)phenyl]phenyl]carbazole (CID 164800354) is 4-carbazol-9-yl-9-[3-[3-(9H-fluoren-9-yl)phenyl]phenyl]carbazole.
What is the SMILES notation for 4-carbazol-9-yl-9-[3-[3-(9H-fluoren-9-yl)phenyl]phenyl]carbazole?
The canonical SMILES for 4-carbazol-9-yl-9-[3-[3-(9H-fluoren-9-yl)phenyl]phenyl]carbazole is c1cc(-c2cccc(-n3c4ccccc4c4c(-n5c6ccccc6c6ccccc65)cccc43)c2)cc(C2c3ccccc3-c3ccccc32)c1.
What is the InChIKey of 4-carbazol-9-yl-9-[3-[3-(9H-fluoren-9-yl)phenyl]phenyl]carbazole?
The InChIKey is KOPVHPHYTJJQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N2/c1-3-22-40-36(18-1)37-19-2-4-23-41(37)48(40)34-16-11-14-32(30-34)33-15-12-17-35(31-33)50-45-27-10-7-24-42(45)49-46(50)28-13-29-47(49)51-43-25-8-5-20-38(43)39-21-6-9-26-44(39)51/h1-31,48H.
What are the key properties of 4-carbazol-9-yl-9-[3-[3-(9H-fluoren-9-yl)phenyl]phenyl]carbazole?
4-carbazol-9-yl-9-[3-[3-(9H-fluoren-9-yl)phenyl]phenyl]carbazole has a molecular weight of 648.81 g/mol, XLogP of 12.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-carbazol-9-yl-9-[3-[3-(9H-fluoren-9-yl)phenyl]phenyl]carbazole is sourced from PubChem (CID 164800354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).