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

C116H74N8 — CID 155039415

IUPAC5-[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
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4c4cc(-c6ccc7c(c6)c6ccc(-c8ccc(-c9cc(-c%10ccccc%10)nc(-c%10cccc(-c%11cccc%12c%11c%11ccc(-c%13ccc%14c%15ccccc%15n(-c%15ccccc%15)c%14c%13)cc%11n%12-c%11ccccc%11)c%10)n9)cc8)cc6n7-c6ccccc6)ccc4n5-c4ccccc4)c3)n2)cc1
InChIInChI=1S/C116H74N8/c1-8-28-76(29-9-1)101-73-102(77-30-10-2-11-31-77)118-115(117-101)88-37-25-35-86(67-88)94-48-27-51-109-114(94)100-69-81(60-65-107(100)121(109)89-38-14-4-15-39-89)80-59-64-106-99(68-80)97-62-56-82(70-111(97)123(106)91-42-18-6-19-43-91)75-52-54-79(55-53-75)104-74-103(78-32-12-3-13-33-78)119-116(120-104)87-36-24-34-85(66-87)93-47-26-50-108-113(93)98-63-58-84(72-112(98)124(108)92-44-20-7-21-45-92)83-57-61-96-95-46-22-23-49-105(95)122(110(96)71-83)90-40-16-5-17-41-90/h1-74H
InChIKeyWMJLUHNEVYIUKB-UHFFFAOYSA-N
MW1579.92 g/mol
LogP29.99
Rot. Bonds15

About 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

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 (PubChem CID 155039415) has the molecular formula C116H74N8 and a molecular weight of 1579.92 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID155039415
Molecular FormulaC116H74N8
Molecular Weight1579.92 g/mol
Exact Mass1578.60
IUPAC Name5-[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
SMILESc1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4c4cc(-c6ccc7c(c6)c6ccc(-c8ccc(-c9cc(-c%10ccccc%10)nc(-c%10cccc(-c%11cccc%12c%11c%11ccc(-c%13ccc%14c%15ccccc%15n(-c%15ccccc%15)c%14c%13)cc%11n%12-c%11ccccc%11)c%10)n9)cc8)cc6n7-c6ccccc6)ccc4n5-c4ccccc4)c3)n2)cc1
InChIInChI=1S/C116H74N8/c1-8-28-76(29-9-1)101-73-102(77-30-10-2-11-31-77)118-115(117-101)88-37-25-35-86(67-88)94-48-27-51-109-114(94)100-69-81(60-65-107(100)121(109)89-38-14-4-15-39-89)80-59-64-106-99(68-80)97-62-56-82(70-111(97)123(106)91-42-18-6-19-43-91)75-52-54-79(55-53-75)104-74-103(78-32-12-3-13-33-78)119-116(120-104)87-36-24-34-85(66-87)93-47-26-50-108-113(93)98-63-58-84(72-112(98)124(108)92-44-20-7-21-45-92)83-57-61-96-95-46-22-23-49-105(95)122(110(96)71-83)90-40-16-5-17-41-90/h1-74H
InChIKeyWMJLUHNEVYIUKB-UHFFFAOYSA-N
XLogP29.99
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms124
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001579.92
LogP ≤ 529.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

2-[4-[3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-9-phenylcarbazole;3-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-9-[4-(9-phenylcarbazol-4-yl)phenyl]carbazole
CID 157082857
6-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-2-yl]-2-[9-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-5-(9-phenylcarbazol-3-yl)carbazol-3-yl]-9-phenylcarbazole
CID 134590951
9-[3-[4-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-9-yl]phenyl]-3-phenyl-6-(9-phenylcarbazol-3-yl)carbazole
CID 138731899
3-[9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]carbazol-4-yl]-9-phenylcarbazole
CID 118528300
5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-2,9-diphenylcarbazole;5-[7-(4,6-diphenyl-1,3,5-triazin-2-yl)triphenylen-2-yl]-3,9-diphenylcarbazole
CID 158650135
3-[3-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)phenyl]-9-phenylcarbazole;4-[3-(4-dibenzofuran-3-yl-6-phenylpyrimidin-2-yl)phenyl]-9-phenylcarbazole;9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-2-phenylcarbazole;9-[3-(4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4-phenylcarbazole
CID 159581525
3-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-4-yl]-9-phenylcarbazole;3-[9-[4-(3,5-diphenylphenyl)phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;2-(9-phenylcarbazol-2-yl)-9-(4-phenylphenyl)carbazole;4-(9-phenylcarbazol-3-yl)-9-[4-(4-phenylphenyl)phenyl]carbazole;9-phenyl-2-(9-phenylcarbazol-2-yl)carbazole
CID 161127912
2-[11-(2,6-diphenylpyrimidin-4-yl)triphenylen-1-yl]-9-phenylcarbazole;2-[11-(4,6-diphenylpyrimidin-2-yl)triphenylen-1-yl]-9-phenylcarbazole;3-[11-(4,6-diphenylpyrimidin-2-yl)triphenylen-1-yl]-9-phenylcarbazole
CID 158710301
9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-[9-[4-[3-[6-phenyl-2-[4-[2-(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]phenyl]carbazol-3-yl]carbazole
CID 170096012
5-[3-[4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-3,9-diphenylcarbazole
CID 129265295
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-9-phenyl-5-(9-phenylcarbazol-3-yl)carbazole
CID 134597683
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc(-c4cccc5c4c4cc(-c6ccc7c(c6)c6ccc(-c8ccc(-c9cc(-c%10ccccc%10)nc(-c%10cccc(-c%11cccc%12c%11c%11ccc(-c%13ccc%14c%15ccccc%15n(-c%15ccccc%15)c%14c%13)cc%11n%12-c%11ccccc%11)c%10)n9)cc8)cc6n7-c6ccccc6)ccc4n5-c4ccccc4)c3)n2)cc1.
What is the InChIKey of 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?
The InChIKey is WMJLUHNEVYIUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C116H74N8/c1-8-28-76(29-9-1)101-73-102(77-30-10-2-11-31-77)118-115(117-101)88-37-25-35-86(67-88)94-48-27-51-109-114(94)100-69-81(60-65-107(100)121(109)89-38-14-4-15-39-89)80-59-64-106-99(68-80)97-62-56-82(70-111(97)123(106)91-42-18-6-19-43-91)75-52-54-79(55-53-75)104-74-103(78-32-12-3-13-33-78)119-116(120-104)87-36-24-34-85(66-87)93-47-26-50-108-113(93)98-63-58-84(72-112(98)124(108)92-44-20-7-21-45-92)83-57-61-96-95-46-22-23-49-105(95)122(110(96)71-83)90-40-16-5-17-41-90/h1-74H.
What are the key properties of 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?
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 has a molecular weight of 1579.92 g/mol, XLogP of 29.99, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 155039415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).