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

C88H56N6 — CID 165151390

IUPAC9-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
SMILESc1ccc(-c2nc(-c3cccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)c3)cc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5cc(-c6cccc(-c7cccc8c7c7ccccc7n8-c7ccccc7)c6)nc(-c6ccccc6)n5)ccc43)n2)cc1
InChIInChI=1S/C88H56N6/c1-5-23-55(24-6-1)87-89-75(59-29-19-27-57(49-59)65-39-21-43-81-85(65)71-37-15-17-41-79(71)93(81)63-31-9-3-10-32-63)53-77(91-87)61-45-47-69-73(51-61)83-67-35-13-14-36-68(67)84(69)74-52-62(46-48-70(74)83)78-54-76(90-88(92-78)56-25-7-2-8-26-56)60-30-20-28-58(50-60)66-40-22-44-82-86(66)72-38-16-18-42-80(72)94(82)64-33-11-4-12-34-64/h1-54,83-84H
InChIKeyDLRUCDQWQYSNLE-UHFFFAOYSA-N
MW1197.46 g/mol
LogP21.78
Rot. Bonds10

About 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

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 (PubChem CID 165151390) has the molecular formula C88H56N6 and a molecular weight of 1197.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-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
PubChem CID165151390
Molecular FormulaC88H56N6
Molecular Weight1197.46 g/mol
Exact Mass1196.46
IUPAC Name9-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
SMILESc1ccc(-c2nc(-c3cccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)c3)cc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5cc(-c6cccc(-c7cccc8c7c7ccccc7n8-c7ccccc7)c6)nc(-c6ccccc6)n5)ccc43)n2)cc1
InChIInChI=1S/C88H56N6/c1-5-23-55(24-6-1)87-89-75(59-29-19-27-57(49-59)65-39-21-43-81-85(65)71-37-15-17-41-79(71)93(81)63-31-9-3-10-32-63)53-77(91-87)61-45-47-69-73(51-61)83-67-35-13-14-36-68(67)84(69)74-52-62(46-48-70(74)83)78-54-76(90-88(92-78)56-25-7-2-8-26-56)60-30-20-28-58(50-60)66-40-22-44-82-86(66)72-38-16-18-42-80(72)94(82)64-33-11-4-12-34-64/h1-54,83-84H
InChIKeyDLRUCDQWQYSNLE-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-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 with MolForge

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Related Compounds

9-phenyl-4-[4-[4-phenyl-6-[4-[11-[4-[4-phenyl-6-[4-(9-phenylcarbazol-4-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 165151261
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
4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-[4-(9-phenylcarbazol-4-yl)phenyl]carbazole
CID 121306271
3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 118528300
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
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
4-[4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-9-phenylcarbazole
CID 146491338
9-[3-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-3-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 138731899
9-[3-[8-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]naphthalen-1-yl]phenyl]carbazole
CID 121258006
5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-phenyl-3-[9-phenyl-7-[4-[6-phenyl-2-[3-[9-phenyl-7-(9-phenylcarbazol-2-yl)carbazol-4-yl]phenyl]pyrimidin-4-yl]phenyl]carbazol-3-yl]carbazole
CID 155039415
9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-4-[3-methyl-4-(2-methylphenyl)phenyl]carbazole
CID 118034718

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2nc(-c3cccc(-c4cccc5c4c4ccccc4n5-c4ccccc4)c3)cc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5cc(-c6cccc(-c7cccc8c7c7ccccc7n8-c7ccccc7)c6)nc(-c6ccccc6)n5)ccc43)n2)cc1.
What is the InChIKey of 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?
The InChIKey is DLRUCDQWQYSNLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H56N6/c1-5-23-55(24-6-1)87-89-75(59-29-19-27-57(49-59)65-39-21-43-81-85(65)71-37-15-17-41-79(71)93(81)63-31-9-3-10-32-63)53-77(91-87)61-45-47-69-73(51-61)83-67-35-13-14-36-68(67)84(69)74-52-62(46-48-70(74)83)78-54-76(90-88(92-78)56-25-7-2-8-26-56)60-30-20-28-58(50-60)66-40-22-44-82-86(66)72-38-16-18-42-80(72)94(82)64-33-11-4-12-34-64/h1-54,83-84H.
What are the key properties of 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?
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 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-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 is sourced from PubChem (CID 165151390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).