2-phenyl-9-[4-[4-(2-phenyl-9H-fluoren-9-yl)phenyl]phenyl]carbazole

C49H33N — CID 58250678

IUPAC2-phenyl-9-[4-[4-(2-phenyl-9H-fluoren-9-yl)phenyl]phenyl]carbazole
SMILESc1ccc(-c2ccc3c(c2)C(c2ccc(-c4ccc(-n5c6ccccc6c6ccc(-c7ccccc7)cc65)cc4)cc2)c2ccccc2-3)cc1
InChIInChI=1S/C49H33N/c1-3-11-33(12-4-1)38-25-29-42-41-15-7-8-17-45(41)49(46(42)31-38)37-21-19-35(20-22-37)36-23-27-40(28-24-36)50-47-18-10-9-16-43(47)44-30-26-39(32-48(44)50)34-13-5-2-6-14-34/h1-32,49H
InChIKeyCJMJBBOCMONMJW-UHFFFAOYSA-N
MW635.81 g/mol
LogP12.95
Rot. Bonds5

About 2-phenyl-9-[4-[4-(2-phenyl-9H-fluoren-9-yl)phenyl]phenyl]carbazole

2-phenyl-9-[4-[4-(2-phenyl-9H-fluoren-9-yl)phenyl]phenyl]carbazole (PubChem CID 58250678) has the molecular formula C49H33N and a molecular weight of 635.81 g/mol. Its IUPAC name is 2-phenyl-9-[4-[4-(2-phenyl-9H-fluoren-9-yl)phenyl]phenyl]carbazole.

Molecular Properties

Compound Name2-phenyl-9-[4-[4-(2-phenyl-9H-fluoren-9-yl)phenyl]phenyl]carbazole
PubChem CID58250678
Molecular FormulaC49H33N
Molecular Weight635.81 g/mol
Exact Mass635.26
IUPAC Name2-phenyl-9-[4-[4-(2-phenyl-9H-fluoren-9-yl)phenyl]phenyl]carbazole
SMILESc1ccc(-c2ccc3c(c2)C(c2ccc(-c4ccc(-n5c6ccccc6c6ccc(-c7ccccc7)cc65)cc4)cc2)c2ccccc2-3)cc1
InChIInChI=1S/C49H33N/c1-3-11-33(12-4-1)38-25-29-42-41-15-7-8-17-45(41)49(46(42)31-38)37-21-19-35(20-22-37)36-23-27-40(28-24-36)50-47-18-10-9-16-43(47)44-30-26-39(32-48(44)50)34-13-5-2-6-14-34/h1-32,49H
InChIKeyCJMJBBOCMONMJW-UHFFFAOYSA-N
XLogP12.95
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500635.81
LogP ≤ 512.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-9-[4-[4-(2-phenyl-9H-fluoren-9-yl)phenyl]phenyl]carbazole?
The IUPAC name of 2-phenyl-9-[4-[4-(2-phenyl-9H-fluoren-9-yl)phenyl]phenyl]carbazole (CID 58250678) is 2-phenyl-9-[4-[4-(2-phenyl-9H-fluoren-9-yl)phenyl]phenyl]carbazole.
What is the SMILES notation for 2-phenyl-9-[4-[4-(2-phenyl-9H-fluoren-9-yl)phenyl]phenyl]carbazole?
The canonical SMILES for 2-phenyl-9-[4-[4-(2-phenyl-9H-fluoren-9-yl)phenyl]phenyl]carbazole is c1ccc(-c2ccc3c(c2)C(c2ccc(-c4ccc(-n5c6ccccc6c6ccc(-c7ccccc7)cc65)cc4)cc2)c2ccccc2-3)cc1.
What is the InChIKey of 2-phenyl-9-[4-[4-(2-phenyl-9H-fluoren-9-yl)phenyl]phenyl]carbazole?
The InChIKey is CJMJBBOCMONMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H33N/c1-3-11-33(12-4-1)38-25-29-42-41-15-7-8-17-45(41)49(46(42)31-38)37-21-19-35(20-22-37)36-23-27-40(28-24-36)50-47-18-10-9-16-43(47)44-30-26-39(32-48(44)50)34-13-5-2-6-14-34/h1-32,49H.
What are the key properties of 2-phenyl-9-[4-[4-(2-phenyl-9H-fluoren-9-yl)phenyl]phenyl]carbazole?
2-phenyl-9-[4-[4-(2-phenyl-9H-fluoren-9-yl)phenyl]phenyl]carbazole has a molecular weight of 635.81 g/mol, XLogP of 12.95, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-9-[4-[4-(2-phenyl-9H-fluoren-9-yl)phenyl]phenyl]carbazole is sourced from PubChem (CID 58250678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).