9-(9,9-diphenylfluoren-2-yl)-3-[3-[2-[1-phenyl-2-(4-phenylphenyl)ethyl]phenyl]phenyl]carbazole

C69H49N — CID 144639975

IUPAC9-(9,9-diphenylfluoren-2-yl)-3-[3-[2-[1-phenyl-2-(4-phenylphenyl)ethyl]phenyl]phenyl]carbazole
SMILESc1ccc(-c2ccc(CC(c3ccccc3)c3ccccc3-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c3)cc2)cc1
InChIInChI=1S/C69H49N/c1-5-20-49(21-6-1)50-38-36-48(37-39-50)44-63(51-22-7-2-8-23-51)59-31-14-13-30-58(59)54-25-19-24-52(45-54)53-40-43-68-64(46-53)62-33-16-18-35-67(62)70(68)57-41-42-61-60-32-15-17-34-65(60)69(66(61)47-57,55-26-9-3-10-27-55)56-28-11-4-12-29-56/h1-43,45-47,63H,44H2
InChIKeyFCZQKCQFYWNPBR-UHFFFAOYSA-N
MW892.16 g/mol
LogP17.52
Rot. Bonds10

About 9-(9,9-diphenylfluoren-2-yl)-3-[3-[2-[1-phenyl-2-(4-phenylphenyl)ethyl]phenyl]phenyl]carbazole

9-(9,9-diphenylfluoren-2-yl)-3-[3-[2-[1-phenyl-2-(4-phenylphenyl)ethyl]phenyl]phenyl]carbazole (PubChem CID 144639975) has the molecular formula C69H49N and a molecular weight of 892.16 g/mol. Its IUPAC name is 9-(9,9-diphenylfluoren-2-yl)-3-[3-[2-[1-phenyl-2-(4-phenylphenyl)ethyl]phenyl]phenyl]carbazole.

Molecular Properties

Compound Name9-(9,9-diphenylfluoren-2-yl)-3-[3-[2-[1-phenyl-2-(4-phenylphenyl)ethyl]phenyl]phenyl]carbazole
PubChem CID144639975
Molecular FormulaC69H49N
Molecular Weight892.16 g/mol
Exact Mass891.39
IUPAC Name9-(9,9-diphenylfluoren-2-yl)-3-[3-[2-[1-phenyl-2-(4-phenylphenyl)ethyl]phenyl]phenyl]carbazole
SMILESc1ccc(-c2ccc(CC(c3ccccc3)c3ccccc3-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c3)cc2)cc1
InChIInChI=1S/C69H49N/c1-5-20-49(21-6-1)50-38-36-48(37-39-50)44-63(51-22-7-2-8-23-51)59-31-14-13-30-58(59)54-25-19-24-52(45-54)53-40-43-68-64(46-53)62-33-16-18-35-67(62)70(68)57-41-42-61-60-32-15-17-34-65(60)69(66(61)47-57,55-26-9-3-10-27-55)56-28-11-4-12-29-56/h1-43,45-47,63H,44H2
InChIKeyFCZQKCQFYWNPBR-UHFFFAOYSA-N
XLogP17.52
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms70
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500892.16
LogP ≤ 517.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-diphenylfluoren-2-yl)-3-[3-[2-[1-phenyl-2-(4-phenylphenyl)ethyl]phenyl]phenyl]carbazole?
The IUPAC name of 9-(9,9-diphenylfluoren-2-yl)-3-[3-[2-[1-phenyl-2-(4-phenylphenyl)ethyl]phenyl]phenyl]carbazole (CID 144639975) is 9-(9,9-diphenylfluoren-2-yl)-3-[3-[2-[1-phenyl-2-(4-phenylphenyl)ethyl]phenyl]phenyl]carbazole.
What is the SMILES notation for 9-(9,9-diphenylfluoren-2-yl)-3-[3-[2-[1-phenyl-2-(4-phenylphenyl)ethyl]phenyl]phenyl]carbazole?
The canonical SMILES for 9-(9,9-diphenylfluoren-2-yl)-3-[3-[2-[1-phenyl-2-(4-phenylphenyl)ethyl]phenyl]phenyl]carbazole is c1ccc(-c2ccc(CC(c3ccccc3)c3ccccc3-c3cccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc5c(c4)C(c4ccccc4)(c4ccccc4)c4ccccc4-5)c3)cc2)cc1.
What is the InChIKey of 9-(9,9-diphenylfluoren-2-yl)-3-[3-[2-[1-phenyl-2-(4-phenylphenyl)ethyl]phenyl]phenyl]carbazole?
The InChIKey is FCZQKCQFYWNPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H49N/c1-5-20-49(21-6-1)50-38-36-48(37-39-50)44-63(51-22-7-2-8-23-51)59-31-14-13-30-58(59)54-25-19-24-52(45-54)53-40-43-68-64(46-53)62-33-16-18-35-67(62)70(68)57-41-42-61-60-32-15-17-34-65(60)69(66(61)47-57,55-26-9-3-10-27-55)56-28-11-4-12-29-56/h1-43,45-47,63H,44H2.
What are the key properties of 9-(9,9-diphenylfluoren-2-yl)-3-[3-[2-[1-phenyl-2-(4-phenylphenyl)ethyl]phenyl]phenyl]carbazole?
9-(9,9-diphenylfluoren-2-yl)-3-[3-[2-[1-phenyl-2-(4-phenylphenyl)ethyl]phenyl]phenyl]carbazole has a molecular weight of 892.16 g/mol, XLogP of 17.52, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9,9-diphenylfluoren-2-yl)-3-[3-[2-[1-phenyl-2-(4-phenylphenyl)ethyl]phenyl]phenyl]carbazole is sourced from PubChem (CID 144639975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).