9-phenyl-3-[2-[2-phenyl-6-[11-[2-phenyl-6-[2-(9-phenylcarbazol-3-yl)phenyl]pyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]pyrimidin-4-yl]phenyl]carbazole

C88H56N6 — CID 165150883

IUPAC9-phenyl-3-[2-[2-phenyl-6-[11-[2-phenyl-6-[2-(9-phenylcarbazol-3-yl)phenyl]pyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]pyrimidin-4-yl]phenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5cc(-c6ccccc6-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)nc(-c6ccccc6)n5)ccc43)cc(-c3ccccc3-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)n2)cc1
InChIInChI=1S/C88H56N6/c1-5-23-55(24-6-1)87-89-77(53-79(91-87)65-33-15-13-31-63(65)57-43-47-83-73(49-57)67-35-19-21-39-81(67)93(83)61-27-9-3-10-28-61)59-41-45-71-75(51-59)85-69-37-17-18-38-70(69)86(71)76-52-60(42-46-72(76)85)78-54-80(92-88(90-78)56-25-7-2-8-26-56)66-34-16-14-32-64(66)58-44-48-84-74(50-58)68-36-20-22-40-82(68)94(84)62-29-11-4-12-30-62/h1-54,85-86H
InChIKeyTVZPIGRYWKEIKA-UHFFFAOYSA-N
MW1197.46 g/mol
LogP21.78
Rot. Bonds10

About 9-phenyl-3-[2-[2-phenyl-6-[11-[2-phenyl-6-[2-(9-phenylcarbazol-3-yl)phenyl]pyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]pyrimidin-4-yl]phenyl]carbazole

9-phenyl-3-[2-[2-phenyl-6-[11-[2-phenyl-6-[2-(9-phenylcarbazol-3-yl)phenyl]pyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]pyrimidin-4-yl]phenyl]carbazole (PubChem CID 165150883) has the molecular formula C88H56N6 and a molecular weight of 1197.46 g/mol. Its IUPAC name is 9-phenyl-3-[2-[2-phenyl-6-[11-[2-phenyl-6-[2-(9-phenylcarbazol-3-yl)phenyl]pyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]pyrimidin-4-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-phenyl-3-[2-[2-phenyl-6-[11-[2-phenyl-6-[2-(9-phenylcarbazol-3-yl)phenyl]pyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]pyrimidin-4-yl]phenyl]carbazole
PubChem CID165150883
Molecular FormulaC88H56N6
Molecular Weight1197.46 g/mol
Exact Mass1196.46
IUPAC Name9-phenyl-3-[2-[2-phenyl-6-[11-[2-phenyl-6-[2-(9-phenylcarbazol-3-yl)phenyl]pyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]pyrimidin-4-yl]phenyl]carbazole
SMILESc1ccc(-c2nc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5cc(-c6ccccc6-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)nc(-c6ccccc6)n5)ccc43)cc(-c3ccccc3-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)n2)cc1
InChIInChI=1S/C88H56N6/c1-5-23-55(24-6-1)87-89-77(53-79(91-87)65-33-15-13-31-63(65)57-43-47-83-73(49-57)67-35-19-21-39-81(67)93(83)61-27-9-3-10-28-61)59-41-45-71-75(51-59)85-69-37-17-18-38-70(69)86(71)76-52-60(42-46-72(76)85)78-54-80(92-88(90-78)56-25-7-2-8-26-56)66-34-16-14-32-64(66)58-44-48-84-74(50-58)68-36-20-22-40-82(68)94(84)62-29-11-4-12-30-62/h1-54,85-86H
InChIKeyTVZPIGRYWKEIKA-UHFFFAOYSA-N
XLogP21.78
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms94
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001197.46
LogP ≤ 521.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-phenyl-3-[2-[2-phenyl-6-[11-[2-phenyl-6-[2-(9-phenylcarbazol-3-yl)phenyl]pyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]pyrimidin-4-yl]phenyl]carbazole with MolForge

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Related Compounds

9-phenyl-4-[3-[2-phenyl-6-[11-[2-phenyl-6-[3-(9-phenylcarbazol-4-yl)phenyl]pyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]pyrimidin-4-yl]phenyl]carbazole
CID 165151390
3-[4-[4-[11-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 165151703
9-[2-[6-[11-[6-(2-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 165151694
9-[3-[2-[11-[4-(3-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidin-4-yl]phenyl]carbazole
CID 165151617
9-[4-[2-[11-[4-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidin-4-yl]phenyl]carbazole
CID 165151410
3-[10-(2,6-diphenylpyrimidin-4-yl)triphenylen-1-yl]-9-phenylcarbazole
CID 138599940
3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 118528300
3-[3-[4-(6-naphthalen-1-yl-2-phenylpyrimidin-4-yl)naphthalen-1-yl]phenyl]-9-phenylcarbazole
CID 167237857
9-[3-[2-[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-6-[3-[3-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126632710
9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-[9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]carbazole;9-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]-3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]carbazole;9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]carbazole
CID 159465989
2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 134598259
4-(2-dibenzofuran-2-ylphenyl)-6-[11-[6-(2-dibenzofuran-2-ylphenyl)-2-phenylpyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-2-phenylpyrimidine
CID 165150895

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-[2-[2-phenyl-6-[11-[2-phenyl-6-[2-(9-phenylcarbazol-3-yl)phenyl]pyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]pyrimidin-4-yl]phenyl]carbazole?
The IUPAC name of 9-phenyl-3-[2-[2-phenyl-6-[11-[2-phenyl-6-[2-(9-phenylcarbazol-3-yl)phenyl]pyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]pyrimidin-4-yl]phenyl]carbazole (CID 165150883) is 9-phenyl-3-[2-[2-phenyl-6-[11-[2-phenyl-6-[2-(9-phenylcarbazol-3-yl)phenyl]pyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]pyrimidin-4-yl]phenyl]carbazole.
What is the SMILES notation for 9-phenyl-3-[2-[2-phenyl-6-[11-[2-phenyl-6-[2-(9-phenylcarbazol-3-yl)phenyl]pyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]pyrimidin-4-yl]phenyl]carbazole?
The canonical SMILES for 9-phenyl-3-[2-[2-phenyl-6-[11-[2-phenyl-6-[2-(9-phenylcarbazol-3-yl)phenyl]pyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]pyrimidin-4-yl]phenyl]carbazole is c1ccc(-c2nc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5cc(-c6ccccc6-c6ccc7c(c6)c6ccccc6n7-c6ccccc6)nc(-c6ccccc6)n5)ccc43)cc(-c3ccccc3-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)n2)cc1.
What is the InChIKey of 9-phenyl-3-[2-[2-phenyl-6-[11-[2-phenyl-6-[2-(9-phenylcarbazol-3-yl)phenyl]pyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]pyrimidin-4-yl]phenyl]carbazole?
The InChIKey is TVZPIGRYWKEIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H56N6/c1-5-23-55(24-6-1)87-89-77(53-79(91-87)65-33-15-13-31-63(65)57-43-47-83-73(49-57)67-35-19-21-39-81(67)93(83)61-27-9-3-10-28-61)59-41-45-71-75(51-59)85-69-37-17-18-38-70(69)86(71)76-52-60(42-46-72(76)85)78-54-80(92-88(90-78)56-25-7-2-8-26-56)66-34-16-14-32-64(66)58-44-48-84-74(50-58)68-36-20-22-40-82(68)94(84)62-29-11-4-12-30-62/h1-54,85-86H.
What are the key properties of 9-phenyl-3-[2-[2-phenyl-6-[11-[2-phenyl-6-[2-(9-phenylcarbazol-3-yl)phenyl]pyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]pyrimidin-4-yl]phenyl]carbazole?
9-phenyl-3-[2-[2-phenyl-6-[11-[2-phenyl-6-[2-(9-phenylcarbazol-3-yl)phenyl]pyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]pyrimidin-4-yl]phenyl]carbazole has a molecular weight of 1197.46 g/mol, XLogP of 21.78, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-[2-[2-phenyl-6-[11-[2-phenyl-6-[2-(9-phenylcarbazol-3-yl)phenyl]pyrimidin-4-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]pyrimidin-4-yl]phenyl]carbazole is sourced from PubChem (CID 165150883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).