3-phenyl-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6-[6-phenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole

C73H47N5 — CID 88866634

IUPAC3-phenyl-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6-[6-phenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc2n3-c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)cc1
InChIInChI=1S/C73H47N5/c1-5-17-48(18-6-1)51-31-38-67-60(43-51)62-45-53(33-40-68(62)76(67)57-35-29-50(30-36-57)73-74-65-26-14-16-28-72(65)78(73)56-23-11-4-12-24-56)54-34-41-70-63(46-54)61-44-52(49-19-7-2-8-20-49)32-39-69(61)77(70)58-37-42-71-64(47-58)59-25-13-15-27-66(59)75(71)55-21-9-3-10-22-55/h1-47H
InChIKeyGGVAVDOVQDRSGM-UHFFFAOYSA-N
MW994.21 g/mol
LogP18.98
Rot. Bonds8

About 3-phenyl-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6-[6-phenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole

3-phenyl-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6-[6-phenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole (PubChem CID 88866634) has the molecular formula C73H47N5 and a molecular weight of 994.21 g/mol. Its IUPAC name is 3-phenyl-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6-[6-phenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole.

Molecular Properties

Compound Name3-phenyl-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6-[6-phenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
PubChem CID88866634
Molecular FormulaC73H47N5
Molecular Weight994.21 g/mol
Exact Mass993.38
IUPAC Name3-phenyl-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6-[6-phenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole
SMILESc1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc2n3-c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)cc1
InChIInChI=1S/C73H47N5/c1-5-17-48(18-6-1)51-31-38-67-60(43-51)62-45-53(33-40-68(62)76(67)57-35-29-50(30-36-57)73-74-65-26-14-16-28-72(65)78(73)56-23-11-4-12-24-56)54-34-41-70-63(46-54)61-44-52(49-19-7-2-8-20-49)32-39-69(61)77(70)58-37-42-71-64(47-58)59-25-13-15-27-66(59)75(71)55-21-9-3-10-22-55/h1-47H
InChIKeyGGVAVDOVQDRSGM-UHFFFAOYSA-N
XLogP18.98
TPSA32.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500994.21
LogP ≤ 518.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6-[6-phenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole?
The IUPAC name of 3-phenyl-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6-[6-phenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole (CID 88866634) is 3-phenyl-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6-[6-phenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole.
What is the SMILES notation for 3-phenyl-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6-[6-phenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole?
The canonical SMILES for 3-phenyl-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6-[6-phenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole is c1ccc(-c2ccc3c(c2)c2cc(-c4ccc5c(c4)c4cc(-c6ccccc6)ccc4n5-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)ccc2n3-c2ccc(-c3nc4ccccc4n3-c3ccccc3)cc2)cc1.
What is the InChIKey of 3-phenyl-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6-[6-phenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole?
The InChIKey is GGVAVDOVQDRSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H47N5/c1-5-17-48(18-6-1)51-31-38-67-60(43-51)62-45-53(33-40-68(62)76(67)57-35-29-50(30-36-57)73-74-65-26-14-16-28-72(65)78(73)56-23-11-4-12-24-56)54-34-41-70-63(46-54)61-44-52(49-19-7-2-8-20-49)32-39-69(61)77(70)58-37-42-71-64(47-58)59-25-13-15-27-66(59)75(71)55-21-9-3-10-22-55/h1-47H.
What are the key properties of 3-phenyl-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6-[6-phenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole?
3-phenyl-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6-[6-phenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole has a molecular weight of 994.21 g/mol, XLogP of 18.98, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-9-[4-(1-phenylbenzimidazol-2-yl)phenyl]-6-[6-phenyl-9-(9-phenylcarbazol-3-yl)carbazol-3-yl]carbazole is sourced from PubChem (CID 88866634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).