12-[2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-5-phenylindolo[3,2-c]carbazole

C81H53F2N5 — CID 163676732

IUPAC12-[2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
SMILESCC(C)(c1c(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)c(-c2ccccc2F)cc(-c2ccccc2F)c1-n1c2ccccc2c2ccc3c(c4ccccc4n3-c3ccccc3)c21)n1c2ccccc2c2ccccc21
InChIInChI=1S/C81H53F2N5/c1-81(2,88-70-43-23-13-31-54(70)55-32-14-24-44-71(55)88)76-79(86-66-39-19-11-33-56(66)58-45-47-72-74(77(58)86)60-35-15-21-41-68(60)84(72)50-25-5-3-6-26-50)62(52-29-9-17-37-64(52)82)49-63(53-30-10-18-38-65(53)83)80(76)87-67-40-20-12-34-57(67)59-46-48-73-75(78(59)87)61-36-16-22-42-69(61)85(73)51-27-7-4-8-28-51/h3-49H,1-2H3
InChIKeyJHHSPXBSAYSUMM-UHFFFAOYSA-N
MW1134.35 g/mol
LogP21.58
Rot. Bonds8

About 12-[2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-5-phenylindolo[3,2-c]carbazole

12-[2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-5-phenylindolo[3,2-c]carbazole (PubChem CID 163676732) has the molecular formula C81H53F2N5 and a molecular weight of 1134.35 g/mol. Its IUPAC name is 12-[2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-5-phenylindolo[3,2-c]carbazole.

Molecular Properties

Compound Name12-[2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
PubChem CID163676732
Molecular FormulaC81H53F2N5
Molecular Weight1134.35 g/mol
Exact Mass1133.43
IUPAC Name12-[2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
SMILESCC(C)(c1c(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)c(-c2ccccc2F)cc(-c2ccccc2F)c1-n1c2ccccc2c2ccc3c(c4ccccc4n3-c3ccccc3)c21)n1c2ccccc2c2ccccc21
InChIInChI=1S/C81H53F2N5/c1-81(2,88-70-43-23-13-31-54(70)55-32-14-24-44-71(55)88)76-79(86-66-39-19-11-33-56(66)58-45-47-72-74(77(58)86)60-35-15-21-41-68(60)84(72)50-25-5-3-6-26-50)62(52-29-9-17-37-64(52)82)49-63(53-30-10-18-38-65(53)83)80(76)87-67-40-20-12-34-57(67)59-46-48-73-75(78(59)87)61-36-16-22-42-69(61)85(73)51-27-7-4-8-28-51/h3-49H,1-2H3
InChIKeyJHHSPXBSAYSUMM-UHFFFAOYSA-N
XLogP21.58
TPSA24.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001134.35
LogP ≤ 521.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 12-[2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-5-phenylindolo[3,2-c]carbazole with MolForge

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Related Compounds

9-[3-carbazol-9-yl-2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)phenyl]carbazole
CID 139552883
12-[2,5-bis(2-carbazol-9-ylpropan-2-yl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)-4,6-bis[2-(trifluoromethyl)phenyl]phenyl]-5-phenylindolo[3,2-c]carbazole
CID 139552860
5,12-diphenylindolo[3,2-c]carbazole
CID 22105108
9-tert-butyl-5,12-diphenylindolo[3,2-c]carbazole
CID 58489582
5-phenyl-12-[4-(11-phenylindolo[2,3-a]carbazol-12-yl)phenyl]indolo[3,2-c]carbazole
CID 134240235
12-[5-(2,3,4,5,6-pentafluorophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)-2-(trifluoromethyl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 146771699
5-(3-carbazol-9-ylphenyl)-11-[3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]indolo[3,2-b]carbazole
CID 88917500
5-phenyl-11-[3-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]indolo[3,2-b]carbazole
CID 58038298
N-[4-(2-fluorophenyl)phenyl]-N-[4-[4-[4-(2-fluorophenyl)-N-(9-phenylcarbazol-3-yl)anilino]phenyl]phenyl]-9-phenylcarbazol-3-amine
CID 59844901
5-[3-[11-(3-carbazol-9-ylphenyl)indolo[2,3-a]carbazol-12-yl]-5-(12-phenylindolo[3,2-c]carbazol-5-yl)phenyl]-12-phenylindolo[3,2-c]carbazole
CID 88917462
9-[2,6-bis(2-carbazol-9-ylpropan-2-yl)-4-(3,6-ditert-butylcarbazol-9-yl)-3,5-bis(2-fluorophenyl)phenyl]-3,6-ditert-butylcarbazole
CID 147893149
14-[3-(2-carbazol-9-ylpropan-2-yl)-2,4-bis(2-fluorophenyl)-5-(9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 163627548

Frequently Asked Questions

What is the IUPAC name of 12-[2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-5-phenylindolo[3,2-c]carbazole?
The IUPAC name of 12-[2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-5-phenylindolo[3,2-c]carbazole (CID 163676732) is 12-[2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-5-phenylindolo[3,2-c]carbazole.
What is the SMILES notation for 12-[2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-5-phenylindolo[3,2-c]carbazole?
The canonical SMILES for 12-[2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-5-phenylindolo[3,2-c]carbazole is CC(C)(c1c(-n2c3ccccc3c3ccc4c(c5ccccc5n4-c4ccccc4)c32)c(-c2ccccc2F)cc(-c2ccccc2F)c1-n1c2ccccc2c2ccc3c(c4ccccc4n3-c3ccccc3)c21)n1c2ccccc2c2ccccc21.
What is the InChIKey of 12-[2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-5-phenylindolo[3,2-c]carbazole?
The InChIKey is JHHSPXBSAYSUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H53F2N5/c1-81(2,88-70-43-23-13-31-54(70)55-32-14-24-44-71(55)88)76-79(86-66-39-19-11-33-56(66)58-45-47-72-74(77(58)86)60-35-15-21-41-68(60)84(72)50-25-5-3-6-26-50)62(52-29-9-17-37-64(52)82)49-63(53-30-10-18-38-65(53)83)80(76)87-67-40-20-12-34-57(67)59-46-48-73-75(78(59)87)61-36-16-22-42-69(61)85(73)51-27-7-4-8-28-51/h3-49H,1-2H3.
What are the key properties of 12-[2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-5-phenylindolo[3,2-c]carbazole?
12-[2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-5-phenylindolo[3,2-c]carbazole has a molecular weight of 1134.35 g/mol, XLogP of 21.58, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 12-[2-(2-carbazol-9-ylpropan-2-yl)-4,6-bis(2-fluorophenyl)-3-(5-phenylindolo[3,2-c]carbazol-12-yl)phenyl]-5-phenylindolo[3,2-c]carbazole is sourced from PubChem (CID 163676732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).