12-phenyl-5-[2,3,5,6-tetra(carbazol-9-yl)-4-(3-methylphenyl)phenyl]indolo[3,2-c]carbazole

C85H54N6 — CID 165016795

IUPAC12-phenyl-5-[2,3,5,6-tetra(carbazol-9-yl)-4-(3-methylphenyl)phenyl]indolo[3,2-c]carbazole
SMILESCc1cccc(-c2c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)c(-n3c4ccccc4c4ccccc43)c2-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C85H54N6/c1-53-26-25-27-54(52-53)78-81(87-68-41-16-5-30-56(68)57-31-6-17-42-69(57)87)83(89-72-45-20-9-34-60(72)61-35-10-21-46-73(61)89)85(91-76-49-24-14-39-66(76)79-77(91)51-50-65-64-38-13-15-40-67(64)86(80(65)79)55-28-3-2-4-29-55)84(90-74-47-22-11-36-62(74)63-37-12-23-48-75(63)90)82(78)88-70-43-18-7-32-58(70)59-33-8-19-44-71(59)88/h2-52H,1H3
InChIKeyGVFSLQHEHZYGBV-UHFFFAOYSA-N
MW1159.41 g/mol
LogP22.24
Rot. Bonds7

About 12-phenyl-5-[2,3,5,6-tetra(carbazol-9-yl)-4-(3-methylphenyl)phenyl]indolo[3,2-c]carbazole

12-phenyl-5-[2,3,5,6-tetra(carbazol-9-yl)-4-(3-methylphenyl)phenyl]indolo[3,2-c]carbazole (PubChem CID 165016795) has the molecular formula C85H54N6 and a molecular weight of 1159.41 g/mol. Its IUPAC name is 12-phenyl-5-[2,3,5,6-tetra(carbazol-9-yl)-4-(3-methylphenyl)phenyl]indolo[3,2-c]carbazole.

Molecular Properties

Compound Name12-phenyl-5-[2,3,5,6-tetra(carbazol-9-yl)-4-(3-methylphenyl)phenyl]indolo[3,2-c]carbazole
PubChem CID165016795
Molecular FormulaC85H54N6
Molecular Weight1159.41 g/mol
Exact Mass1158.44
IUPAC Name12-phenyl-5-[2,3,5,6-tetra(carbazol-9-yl)-4-(3-methylphenyl)phenyl]indolo[3,2-c]carbazole
SMILESCc1cccc(-c2c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)c(-n3c4ccccc4c4ccccc43)c2-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C85H54N6/c1-53-26-25-27-54(52-53)78-81(87-68-41-16-5-30-56(68)57-31-6-17-42-69(57)87)83(89-72-45-20-9-34-60(72)61-35-10-21-46-73(61)89)85(91-76-49-24-14-39-66(76)79-77(91)51-50-65-64-38-13-15-40-67(64)86(80(65)79)55-28-3-2-4-29-55)84(90-74-47-22-11-36-62(74)63-37-12-23-48-75(63)90)82(78)88-70-43-18-7-32-58(70)59-33-8-19-44-71(59)88/h2-52H,1H3
InChIKeyGVFSLQHEHZYGBV-UHFFFAOYSA-N
XLogP22.24
TPSA29.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001159.41
LogP ≤ 522.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 12-phenyl-5-[2,3,5,6-tetra(carbazol-9-yl)-4-(3-methylphenyl)phenyl]indolo[3,2-c]carbazole?
The IUPAC name of 12-phenyl-5-[2,3,5,6-tetra(carbazol-9-yl)-4-(3-methylphenyl)phenyl]indolo[3,2-c]carbazole (CID 165016795) is 12-phenyl-5-[2,3,5,6-tetra(carbazol-9-yl)-4-(3-methylphenyl)phenyl]indolo[3,2-c]carbazole.
What is the SMILES notation for 12-phenyl-5-[2,3,5,6-tetra(carbazol-9-yl)-4-(3-methylphenyl)phenyl]indolo[3,2-c]carbazole?
The canonical SMILES for 12-phenyl-5-[2,3,5,6-tetra(carbazol-9-yl)-4-(3-methylphenyl)phenyl]indolo[3,2-c]carbazole is Cc1cccc(-c2c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4ccccc43)c(-n3c4ccccc4c4c3ccc3c5ccccc5n(-c5ccccc5)c34)c(-n3c4ccccc4c4ccccc43)c2-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 12-phenyl-5-[2,3,5,6-tetra(carbazol-9-yl)-4-(3-methylphenyl)phenyl]indolo[3,2-c]carbazole?
The InChIKey is GVFSLQHEHZYGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C85H54N6/c1-53-26-25-27-54(52-53)78-81(87-68-41-16-5-30-56(68)57-31-6-17-42-69(57)87)83(89-72-45-20-9-34-60(72)61-35-10-21-46-73(61)89)85(91-76-49-24-14-39-66(76)79-77(91)51-50-65-64-38-13-15-40-67(64)86(80(65)79)55-28-3-2-4-29-55)84(90-74-47-22-11-36-62(74)63-37-12-23-48-75(63)90)82(78)88-70-43-18-7-32-58(70)59-33-8-19-44-71(59)88/h2-52H,1H3.
What are the key properties of 12-phenyl-5-[2,3,5,6-tetra(carbazol-9-yl)-4-(3-methylphenyl)phenyl]indolo[3,2-c]carbazole?
12-phenyl-5-[2,3,5,6-tetra(carbazol-9-yl)-4-(3-methylphenyl)phenyl]indolo[3,2-c]carbazole has a molecular weight of 1159.41 g/mol, XLogP of 22.24, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 12-phenyl-5-[2,3,5,6-tetra(carbazol-9-yl)-4-(3-methylphenyl)phenyl]indolo[3,2-c]carbazole is sourced from PubChem (CID 165016795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).