3-[3-(9,9-diphenylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole

C67H44N2 — CID 129225805

IUPAC3-[3-(9,9-diphenylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4)ccc32)cc1
InChIInChI=1S/C67H44N2/c1-5-19-51(20-6-1)67(52-21-7-2-8-22-52)61-30-16-13-27-55(61)56-36-33-47(44-62(56)67)50-40-48(45-34-37-65-59(42-45)57-28-14-17-31-63(57)68(65)53-23-9-3-10-24-53)39-49(41-50)46-35-38-66-60(43-46)58-29-15-18-32-64(58)69(66)54-25-11-4-12-26-54/h1-44H
InChIKeyIMNVMWQNLRNPFF-UHFFFAOYSA-N
MW877.10 g/mol
LogP17.24
Rot. Bonds7

About 3-[3-(9,9-diphenylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole

3-[3-(9,9-diphenylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole (PubChem CID 129225805) has the molecular formula C67H44N2 and a molecular weight of 877.10 g/mol. Its IUPAC name is 3-[3-(9,9-diphenylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[3-(9,9-diphenylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole
PubChem CID129225805
Molecular FormulaC67H44N2
Molecular Weight877.10 g/mol
Exact Mass876.35
IUPAC Name3-[3-(9,9-diphenylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4cc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4)ccc32)cc1
InChIInChI=1S/C67H44N2/c1-5-19-51(20-6-1)67(52-21-7-2-8-22-52)61-30-16-13-27-55(61)56-36-33-47(44-62(56)67)50-40-48(45-34-37-65-59(42-45)57-28-14-17-31-63(57)68(65)53-23-9-3-10-24-53)39-49(41-50)46-35-38-66-60(43-46)58-29-15-18-32-64(58)69(66)54-25-11-4-12-26-54/h1-44H
InChIKeyIMNVMWQNLRNPFF-UHFFFAOYSA-N
XLogP17.24
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500877.10
LogP ≤ 517.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(9,9-diphenylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole?
The IUPAC name of 3-[3-(9,9-diphenylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole (CID 129225805) is 3-[3-(9,9-diphenylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole.
What is the SMILES notation for 3-[3-(9,9-diphenylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole?
The canonical SMILES for 3-[3-(9,9-diphenylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4cc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)cc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c4)ccc32)cc1.
What is the InChIKey of 3-[3-(9,9-diphenylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole?
The InChIKey is IMNVMWQNLRNPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H44N2/c1-5-19-51(20-6-1)67(52-21-7-2-8-22-52)61-30-16-13-27-55(61)56-36-33-47(44-62(56)67)50-40-48(45-34-37-65-59(42-45)57-28-14-17-31-63(57)68(65)53-23-9-3-10-24-53)39-49(41-50)46-35-38-66-60(43-46)58-29-15-18-32-64(58)69(66)54-25-11-4-12-26-54/h1-44H.
What are the key properties of 3-[3-(9,9-diphenylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole?
3-[3-(9,9-diphenylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole has a molecular weight of 877.10 g/mol, XLogP of 17.24, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(9,9-diphenylfluoren-2-yl)-5-(9-phenylcarbazol-3-yl)phenyl]-9-phenylcarbazole is sourced from PubChem (CID 129225805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).