3-[9-[4-(10-fluoro-7H-benzo[c]fluoren-7-yl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole

C55H33FN4 — CID 90129246

IUPAC3-[9-[4-(10-fluoro-7H-benzo[c]fluoren-7-yl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole
SMILESFc1ccc2c(c1)-c1c(ccc3ccccc13)C2c1nc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc32)nc2ccccc12
InChIInChI=1S/C55H33FN4/c56-36-25-28-42-46(32-36)52-38-15-5-4-12-33(38)22-27-44(52)53(42)54-43-18-6-9-19-47(43)57-55(58-54)60-49-21-11-7-16-39(49)41-26-23-35(31-51(41)60)34-24-29-50-45(30-34)40-17-8-10-20-48(40)59(50)37-13-2-1-3-14-37/h1-32,53H
InChIKeyJNPZXNPEYQENTA-UHFFFAOYSA-N
MW768.90 g/mol
LogP13.94
Rot. Bonds4

About 3-[9-[4-(10-fluoro-7H-benzo[c]fluoren-7-yl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole

3-[9-[4-(10-fluoro-7H-benzo[c]fluoren-7-yl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole (PubChem CID 90129246) has the molecular formula C55H33FN4 and a molecular weight of 768.90 g/mol. Its IUPAC name is 3-[9-[4-(10-fluoro-7H-benzo[c]fluoren-7-yl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-[4-(10-fluoro-7H-benzo[c]fluoren-7-yl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole
PubChem CID90129246
Molecular FormulaC55H33FN4
Molecular Weight768.90 g/mol
Exact Mass768.27
IUPAC Name3-[9-[4-(10-fluoro-7H-benzo[c]fluoren-7-yl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole
SMILESFc1ccc2c(c1)-c1c(ccc3ccccc13)C2c1nc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc32)nc2ccccc12
InChIInChI=1S/C55H33FN4/c56-36-25-28-42-46(32-36)52-38-15-5-4-12-33(38)22-27-44(52)53(42)54-43-18-6-9-19-47(43)57-55(58-54)60-49-21-11-7-16-39(49)41-26-23-35(31-51(41)60)34-24-29-50-45(30-34)40-17-8-10-20-48(40)59(50)37-13-2-1-3-14-37/h1-32,53H
InChIKeyJNPZXNPEYQENTA-UHFFFAOYSA-N
XLogP13.94
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.90
LogP ≤ 513.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[9-[4-(10-fluoro-7H-benzo[c]fluoren-7-yl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-[4-(10-fluoro-7H-benzo[c]fluoren-7-yl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole (CID 90129246) is 3-[9-[4-(10-fluoro-7H-benzo[c]fluoren-7-yl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-[4-(10-fluoro-7H-benzo[c]fluoren-7-yl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-[4-(10-fluoro-7H-benzo[c]fluoren-7-yl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole is Fc1ccc2c(c1)-c1c(ccc3ccccc13)C2c1nc(-n2c3ccccc3c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc32)nc2ccccc12.
What is the InChIKey of 3-[9-[4-(10-fluoro-7H-benzo[c]fluoren-7-yl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole?
The InChIKey is JNPZXNPEYQENTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33FN4/c56-36-25-28-42-46(32-36)52-38-15-5-4-12-33(38)22-27-44(52)53(42)54-43-18-6-9-19-47(43)57-55(58-54)60-49-21-11-7-16-39(49)41-26-23-35(31-51(41)60)34-24-29-50-45(30-34)40-17-8-10-20-48(40)59(50)37-13-2-1-3-14-37/h1-32,53H.
What are the key properties of 3-[9-[4-(10-fluoro-7H-benzo[c]fluoren-7-yl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole?
3-[9-[4-(10-fluoro-7H-benzo[c]fluoren-7-yl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole has a molecular weight of 768.90 g/mol, XLogP of 13.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[4-(10-fluoro-7H-benzo[c]fluoren-7-yl)quinazolin-2-yl]carbazol-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 90129246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).