9-phenyl-3-[7-(9-phenylcarbazol-3-yl)-9H-fluoren-2-yl]carbazole

C49H32N2 — CID 139241546

IUPAC9-phenyl-3-[7-(9-phenylcarbazol-3-yl)-9H-fluoren-2-yl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)Cc4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4-5)ccc32)cc1
InChIInChI=1S/C49H32N2/c1-3-11-38(12-4-1)50-46-17-9-7-15-42(46)44-30-34(21-25-48(44)50)32-19-23-40-36(27-32)29-37-28-33(20-24-41(37)40)35-22-26-49-45(31-35)43-16-8-10-18-47(43)51(49)39-13-5-2-6-14-39/h1-28,30-31H,29H2
InChIKeyNWWWPDGERSVSBP-UHFFFAOYSA-N
MW648.81 g/mol
LogP12.79
Rot. Bonds4

About 9-phenyl-3-[7-(9-phenylcarbazol-3-yl)-9H-fluoren-2-yl]carbazole

9-phenyl-3-[7-(9-phenylcarbazol-3-yl)-9H-fluoren-2-yl]carbazole (PubChem CID 139241546) has the molecular formula C49H32N2 and a molecular weight of 648.81 g/mol. Its IUPAC name is 9-phenyl-3-[7-(9-phenylcarbazol-3-yl)-9H-fluoren-2-yl]carbazole.

Molecular Properties

Compound Name9-phenyl-3-[7-(9-phenylcarbazol-3-yl)-9H-fluoren-2-yl]carbazole
PubChem CID139241546
Molecular FormulaC49H32N2
Molecular Weight648.81 g/mol
Exact Mass648.26
IUPAC Name9-phenyl-3-[7-(9-phenylcarbazol-3-yl)-9H-fluoren-2-yl]carbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)Cc4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4-5)ccc32)cc1
InChIInChI=1S/C49H32N2/c1-3-11-38(12-4-1)50-46-17-9-7-15-42(46)44-30-34(21-25-48(44)50)32-19-23-40-36(27-32)29-37-28-33(20-24-41(37)40)35-22-26-49-45(31-35)43-16-8-10-18-47(43)51(49)39-13-5-2-6-14-39/h1-28,30-31H,29H2
InChIKeyNWWWPDGERSVSBP-UHFFFAOYSA-N
XLogP12.79
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 ≤ 512.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-[7-(9-phenylcarbazol-3-yl)-9H-fluoren-2-yl]carbazole?
The IUPAC name of 9-phenyl-3-[7-(9-phenylcarbazol-3-yl)-9H-fluoren-2-yl]carbazole (CID 139241546) is 9-phenyl-3-[7-(9-phenylcarbazol-3-yl)-9H-fluoren-2-yl]carbazole.
What is the SMILES notation for 9-phenyl-3-[7-(9-phenylcarbazol-3-yl)-9H-fluoren-2-yl]carbazole?
The canonical SMILES for 9-phenyl-3-[7-(9-phenylcarbazol-3-yl)-9H-fluoren-2-yl]carbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)Cc4cc(-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)ccc4-5)ccc32)cc1.
What is the InChIKey of 9-phenyl-3-[7-(9-phenylcarbazol-3-yl)-9H-fluoren-2-yl]carbazole?
The InChIKey is NWWWPDGERSVSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H32N2/c1-3-11-38(12-4-1)50-46-17-9-7-15-42(46)44-30-34(21-25-48(44)50)32-19-23-40-36(27-32)29-37-28-33(20-24-41(37)40)35-22-26-49-45(31-35)43-16-8-10-18-47(43)51(49)39-13-5-2-6-14-39/h1-28,30-31H,29H2.
What are the key properties of 9-phenyl-3-[7-(9-phenylcarbazol-3-yl)-9H-fluoren-2-yl]carbazole?
9-phenyl-3-[7-(9-phenylcarbazol-3-yl)-9H-fluoren-2-yl]carbazole has a molecular weight of 648.81 g/mol, XLogP of 12.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-[7-(9-phenylcarbazol-3-yl)-9H-fluoren-2-yl]carbazole is sourced from PubChem (CID 139241546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).