9-naphthalen-2-yl-2-[[4-(9-phenylfluoren-9-yl)phenyl]methyl]carbazole

C48H33N — CID 167550154

IUPAC9-naphthalen-2-yl-2-[[4-(9-phenylfluoren-9-yl)phenyl]methyl]carbazole
SMILESc1ccc(C2(c3ccc(Cc4ccc5c6ccccc6n(-c6ccc7ccccc7c6)c5c4)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C48H33N/c1-2-14-37(15-3-1)48(44-19-9-6-16-40(44)41-17-7-10-20-45(41)48)38-26-22-33(23-27-38)30-34-24-29-43-42-18-8-11-21-46(42)49(47(43)31-34)39-28-25-35-12-4-5-13-36(35)32-39/h1-29,31-32H,30H2
InChIKeyCHHVPKIPKUEWGI-UHFFFAOYSA-N
MW623.80 g/mol
LogP11.89
Rot. Bonds5

About 9-naphthalen-2-yl-2-[[4-(9-phenylfluoren-9-yl)phenyl]methyl]carbazole

9-naphthalen-2-yl-2-[[4-(9-phenylfluoren-9-yl)phenyl]methyl]carbazole (PubChem CID 167550154) has the molecular formula C48H33N and a molecular weight of 623.80 g/mol. Its IUPAC name is 9-naphthalen-2-yl-2-[[4-(9-phenylfluoren-9-yl)phenyl]methyl]carbazole.

Molecular Properties

Compound Name9-naphthalen-2-yl-2-[[4-(9-phenylfluoren-9-yl)phenyl]methyl]carbazole
PubChem CID167550154
Molecular FormulaC48H33N
Molecular Weight623.80 g/mol
Exact Mass623.26
IUPAC Name9-naphthalen-2-yl-2-[[4-(9-phenylfluoren-9-yl)phenyl]methyl]carbazole
SMILESc1ccc(C2(c3ccc(Cc4ccc5c6ccccc6n(-c6ccc7ccccc7c6)c5c4)cc3)c3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C48H33N/c1-2-14-37(15-3-1)48(44-19-9-6-16-40(44)41-17-7-10-20-45(41)48)38-26-22-33(23-27-38)30-34-24-29-43-42-18-8-11-21-46(42)49(47(43)31-34)39-28-25-35-12-4-5-13-36(35)32-39/h1-29,31-32H,30H2
InChIKeyCHHVPKIPKUEWGI-UHFFFAOYSA-N
XLogP11.89
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms49
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500623.80
LogP ≤ 511.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-2-yl-2-[[4-(9-phenylfluoren-9-yl)phenyl]methyl]carbazole?
The IUPAC name of 9-naphthalen-2-yl-2-[[4-(9-phenylfluoren-9-yl)phenyl]methyl]carbazole (CID 167550154) is 9-naphthalen-2-yl-2-[[4-(9-phenylfluoren-9-yl)phenyl]methyl]carbazole.
What is the SMILES notation for 9-naphthalen-2-yl-2-[[4-(9-phenylfluoren-9-yl)phenyl]methyl]carbazole?
The canonical SMILES for 9-naphthalen-2-yl-2-[[4-(9-phenylfluoren-9-yl)phenyl]methyl]carbazole is c1ccc(C2(c3ccc(Cc4ccc5c6ccccc6n(-c6ccc7ccccc7c6)c5c4)cc3)c3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 9-naphthalen-2-yl-2-[[4-(9-phenylfluoren-9-yl)phenyl]methyl]carbazole?
The InChIKey is CHHVPKIPKUEWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N/c1-2-14-37(15-3-1)48(44-19-9-6-16-40(44)41-17-7-10-20-45(41)48)38-26-22-33(23-27-38)30-34-24-29-43-42-18-8-11-21-46(42)49(47(43)31-34)39-28-25-35-12-4-5-13-36(35)32-39/h1-29,31-32H,30H2.
What are the key properties of 9-naphthalen-2-yl-2-[[4-(9-phenylfluoren-9-yl)phenyl]methyl]carbazole?
9-naphthalen-2-yl-2-[[4-(9-phenylfluoren-9-yl)phenyl]methyl]carbazole has a molecular weight of 623.80 g/mol, XLogP of 11.89, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-naphthalen-2-yl-2-[[4-(9-phenylfluoren-9-yl)phenyl]methyl]carbazole is sourced from PubChem (CID 167550154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).