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

C76H48N6 — CID 165151410

IUPAC9-[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
SMILESc1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5nc(-c6ccccc6)cc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)n5)ccc43)n2)cc1
InChIInChI=1S/C76H48N6/c1-3-17-47(18-4-1)65-45-67(49-31-37-53(38-32-49)81-69-27-13-9-21-55(69)56-22-10-14-28-70(56)81)79-75(77-65)51-35-41-61-63(43-51)73-59-25-7-8-26-60(59)74(61)64-44-52(36-42-62(64)73)76-78-66(48-19-5-2-6-20-48)46-68(80-76)50-33-39-54(40-34-50)82-71-29-15-11-23-57(71)58-24-12-16-30-72(58)82/h1-46,73-74H
InChIKeyQGMJKVBALVDAOC-UHFFFAOYSA-N
MW1045.26 g/mol
LogP18.45
Rot. Bonds8

About 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

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 (PubChem CID 165151410) has the molecular formula C76H48N6 and a molecular weight of 1045.26 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[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
PubChem CID165151410
Molecular FormulaC76H48N6
Molecular Weight1045.26 g/mol
Exact Mass1044.39
IUPAC Name9-[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
SMILESc1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5nc(-c6ccccc6)cc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)n5)ccc43)n2)cc1
InChIInChI=1S/C76H48N6/c1-3-17-47(18-4-1)65-45-67(49-31-37-53(38-32-49)81-69-27-13-9-21-55(69)56-22-10-14-28-70(56)81)79-75(77-65)51-35-41-61-63(43-51)73-59-25-7-8-26-60(59)74(61)64-44-52(36-42-62(64)73)76-78-66(48-19-5-2-6-20-48)46-68(80-76)50-33-39-54(40-34-50)82-71-29-15-11-23-57(71)58-24-12-16-30-72(58)82/h1-46,73-74H
InChIKeyQGMJKVBALVDAOC-UHFFFAOYSA-N
XLogP18.45
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms82
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001045.26
LogP ≤ 518.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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-[4-[6-phenyl-2-(3-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]carbazole
CID 130359579
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-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
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
9-[3-[4-[4-(4-carbazol-9-ylphenyl)phenyl]-6-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]carbazole
CID 118901389
9-[3-[4-(4-carbazol-9-ylphenyl)-6-[4-(3-phenylphenyl)phenyl]pyrimidin-2-yl]phenyl]carbazole
CID 118901397
9-[4-[3-(4,6-diphenylpyrimidin-2-yl)-5-phenylphenyl]phenyl]carbazole
CID 59431404
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-[4-[6-[4-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]-2-[3-(3-phenylphenyl)phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 134242078
2-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[4-(9-phenylcarbazol-2-yl)phenyl]carbazole
CID 118149449
9-[4-[4-[4-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 163590019

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)nc(-c3ccc4c(c3)C3c5ccccc5C4c4cc(-c5nc(-c6ccccc6)cc(-c6ccc(-n7c8ccccc8c8ccccc87)cc6)n5)ccc43)n2)cc1.
What is the InChIKey of 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?
The InChIKey is QGMJKVBALVDAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H48N6/c1-3-17-47(18-4-1)65-45-67(49-31-37-53(38-32-49)81-69-27-13-9-21-55(69)56-22-10-14-28-70(56)81)79-75(77-65)51-35-41-61-63(43-51)73-59-25-7-8-26-60(59)74(61)64-44-52(36-42-62(64)73)76-78-66(48-19-5-2-6-20-48)46-68(80-76)50-33-39-54(40-34-50)82-71-29-15-11-23-57(71)58-24-12-16-30-72(58)82/h1-46,73-74H.
What are the key properties of 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?
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 has a molecular weight of 1045.26 g/mol, XLogP of 18.45, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165151410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).