7-(2,6-diphenylpyrimidin-4-yl)-10-(9-phenyl-9-pyridin-2-yl-4a,9a-dihydrofluoren-3-yl)benzo[c]carbazole

C56H38N4 — CID 135173123

IUPAC7-(2,6-diphenylpyrimidin-4-yl)-10-(9-phenyl-9-pyridin-2-yl-4a,9a-dihydrofluoren-3-yl)benzo[c]carbazole
SMILESC1=CC2C(C=C1c1ccc3c(c1)c1c4ccccc4ccc1n3-c1cc(-c3ccccc3)nc(-c3ccccc3)n1)c1ccccc1C2(c1ccccc1)c1ccccn1
InChIInChI=1S/C56H38N4/c1-4-17-38(18-5-1)49-36-53(59-55(58-49)39-19-6-2-7-20-39)60-50-31-29-41(35-46(50)54-43-23-11-10-16-37(43)28-32-51(54)60)40-27-30-48-45(34-40)44-24-12-13-25-47(44)56(48,42-21-8-3-9-22-42)52-26-14-15-33-57-52/h1-36,45,48H
InChIKeyDBTHFPUYXVDJAM-UHFFFAOYSA-N
MW766.95 g/mol
LogP13.16
Rot. Bonds6

About 7-(2,6-diphenylpyrimidin-4-yl)-10-(9-phenyl-9-pyridin-2-yl-4a,9a-dihydrofluoren-3-yl)benzo[c]carbazole

7-(2,6-diphenylpyrimidin-4-yl)-10-(9-phenyl-9-pyridin-2-yl-4a,9a-dihydrofluoren-3-yl)benzo[c]carbazole (PubChem CID 135173123) has the molecular formula C56H38N4 and a molecular weight of 766.95 g/mol. Its IUPAC name is 7-(2,6-diphenylpyrimidin-4-yl)-10-(9-phenyl-9-pyridin-2-yl-4a,9a-dihydrofluoren-3-yl)benzo[c]carbazole.

Molecular Properties

Compound Name7-(2,6-diphenylpyrimidin-4-yl)-10-(9-phenyl-9-pyridin-2-yl-4a,9a-dihydrofluoren-3-yl)benzo[c]carbazole
PubChem CID135173123
Molecular FormulaC56H38N4
Molecular Weight766.95 g/mol
Exact Mass766.31
IUPAC Name7-(2,6-diphenylpyrimidin-4-yl)-10-(9-phenyl-9-pyridin-2-yl-4a,9a-dihydrofluoren-3-yl)benzo[c]carbazole
SMILESC1=CC2C(C=C1c1ccc3c(c1)c1c4ccccc4ccc1n3-c1cc(-c3ccccc3)nc(-c3ccccc3)n1)c1ccccc1C2(c1ccccc1)c1ccccn1
InChIInChI=1S/C56H38N4/c1-4-17-38(18-5-1)49-36-53(59-55(58-49)39-19-6-2-7-20-39)60-50-31-29-41(35-46(50)54-43-23-11-10-16-37(43)28-32-51(54)60)40-27-30-48-45(34-40)44-24-12-13-25-47(44)56(48,42-21-8-3-9-22-42)52-26-14-15-33-57-52/h1-36,45,48H
InChIKeyDBTHFPUYXVDJAM-UHFFFAOYSA-N
XLogP13.16
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.95
LogP ≤ 513.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-(2,6-diphenylpyrimidin-4-yl)-3-phenanthren-2-ylbenzo[c]carbazole
CID 130350785
22-(2,6-diphenylpyrimidin-4-yl)-22-azahexacyclo[12.11.0.02,11.05,10.015,23.016,21]pentacosa-1(14),2(11),3,5,7,9,12,15(23),16,18,20,24-dodecaene
CID 145105436
7-(2,6-diphenylpyrimidin-4-yl)-2-phenanthren-9-ylbenzo[c]carbazole
CID 131979584
10-[6-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrimidin-4-yl]-7-pyridin-2-ylbenzo[c]carbazole
CID 140797012
7-(2,6-diphenylpyrimidin-4-yl)-3-naphthalen-1-ylbenzo[c]carbazole;7-(2,6-diphenylpyrimidin-4-yl)-2-(6-phenylnaphthalen-2-yl)benzo[c]carbazole
CID 159963707
3-(4-carbazol-9-yl-6-phenylpyrimidin-2-yl)-9-(2,6-diphenylpyrimidin-4-yl)carbazole
CID 146572869
7,10-dipyridin-2-ylbenzo[c]carbazole
CID 90249849
10-(4,6-diphenyl-1,3,5-triazin-2-yl)-7-phenylbenzo[c]carbazole
CID 118133204
2-(9,9-diphenyl-4a,9a-dihydrofluoren-2-yl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 167182460
6-(2,6-diphenylpyrimidin-4-yl)-1,6-diazaheptacyclo[14.12.0.02,14.05,13.07,12.017,22.023,28]octacosa-2(14),3,5(13),7,9,11,15,17,19,21,23,25,27-tridecaene
CID 118331121
10-bromo-7-(2,6-diphenylpyrimidin-4-yl)-7a,11a-dihydrobenzo[c]carbazole
CID 149193962
9-(2,6-diphenylpyrimidin-4-yl)-14-(4-phenylphenyl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 121385468

Frequently Asked Questions

What is the IUPAC name of 7-(2,6-diphenylpyrimidin-4-yl)-10-(9-phenyl-9-pyridin-2-yl-4a,9a-dihydrofluoren-3-yl)benzo[c]carbazole?
The IUPAC name of 7-(2,6-diphenylpyrimidin-4-yl)-10-(9-phenyl-9-pyridin-2-yl-4a,9a-dihydrofluoren-3-yl)benzo[c]carbazole (CID 135173123) is 7-(2,6-diphenylpyrimidin-4-yl)-10-(9-phenyl-9-pyridin-2-yl-4a,9a-dihydrofluoren-3-yl)benzo[c]carbazole.
What is the SMILES notation for 7-(2,6-diphenylpyrimidin-4-yl)-10-(9-phenyl-9-pyridin-2-yl-4a,9a-dihydrofluoren-3-yl)benzo[c]carbazole?
The canonical SMILES for 7-(2,6-diphenylpyrimidin-4-yl)-10-(9-phenyl-9-pyridin-2-yl-4a,9a-dihydrofluoren-3-yl)benzo[c]carbazole is C1=CC2C(C=C1c1ccc3c(c1)c1c4ccccc4ccc1n3-c1cc(-c3ccccc3)nc(-c3ccccc3)n1)c1ccccc1C2(c1ccccc1)c1ccccn1.
What is the InChIKey of 7-(2,6-diphenylpyrimidin-4-yl)-10-(9-phenyl-9-pyridin-2-yl-4a,9a-dihydrofluoren-3-yl)benzo[c]carbazole?
The InChIKey is DBTHFPUYXVDJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H38N4/c1-4-17-38(18-5-1)49-36-53(59-55(58-49)39-19-6-2-7-20-39)60-50-31-29-41(35-46(50)54-43-23-11-10-16-37(43)28-32-51(54)60)40-27-30-48-45(34-40)44-24-12-13-25-47(44)56(48,42-21-8-3-9-22-42)52-26-14-15-33-57-52/h1-36,45,48H.
What are the key properties of 7-(2,6-diphenylpyrimidin-4-yl)-10-(9-phenyl-9-pyridin-2-yl-4a,9a-dihydrofluoren-3-yl)benzo[c]carbazole?
7-(2,6-diphenylpyrimidin-4-yl)-10-(9-phenyl-9-pyridin-2-yl-4a,9a-dihydrofluoren-3-yl)benzo[c]carbazole has a molecular weight of 766.95 g/mol, XLogP of 13.16, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,6-diphenylpyrimidin-4-yl)-10-(9-phenyl-9-pyridin-2-yl-4a,9a-dihydrofluoren-3-yl)benzo[c]carbazole is sourced from PubChem (CID 135173123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).