5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethyl-12-(9-phenylcarbazol-3-yl)-3,4,7a,11a-tetrahydroindeno[1,2-a]carbazole

C61H46N4 — CID 145370305

IUPAC5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethyl-12-(9-phenylcarbazol-3-yl)-3,4,7a,11a-tetrahydroindeno[1,2-a]carbazole
SMILESCC1(C)c2cc(-c3cccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3)c3c4c(n(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c3c2C2C=CC=CC21)C=CCC4
InChIInChI=1S/C61H46N4/c1-61(2)50-30-15-12-28-46(50)58-51(61)37-48(41-23-18-24-42(35-41)60-62-52(39-19-6-3-7-20-39)38-53(63-60)40-21-8-4-9-22-40)57-47-29-14-17-32-55(47)65(59(57)58)44-33-34-56-49(36-44)45-27-13-16-31-54(45)64(56)43-25-10-5-11-26-43/h3-13,15-28,30-38,46,50H,14,29H2,1-2H3
InChIKeyIFOXFFXHSMQHAP-UHFFFAOYSA-N
MW835.07 g/mol
LogP15.26
Rot. Bonds6

About 5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethyl-12-(9-phenylcarbazol-3-yl)-3,4,7a,11a-tetrahydroindeno[1,2-a]carbazole

5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethyl-12-(9-phenylcarbazol-3-yl)-3,4,7a,11a-tetrahydroindeno[1,2-a]carbazole (PubChem CID 145370305) has the molecular formula C61H46N4 and a molecular weight of 835.07 g/mol. Its IUPAC name is 5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethyl-12-(9-phenylcarbazol-3-yl)-3,4,7a,11a-tetrahydroindeno[1,2-a]carbazole.

Molecular Properties

Compound Name5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethyl-12-(9-phenylcarbazol-3-yl)-3,4,7a,11a-tetrahydroindeno[1,2-a]carbazole
PubChem CID145370305
Molecular FormulaC61H46N4
Molecular Weight835.07 g/mol
Exact Mass834.37
IUPAC Name5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethyl-12-(9-phenylcarbazol-3-yl)-3,4,7a,11a-tetrahydroindeno[1,2-a]carbazole
SMILESCC1(C)c2cc(-c3cccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3)c3c4c(n(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c3c2C2C=CC=CC21)C=CCC4
InChIInChI=1S/C61H46N4/c1-61(2)50-30-15-12-28-46(50)58-51(61)37-48(41-23-18-24-42(35-41)60-62-52(39-19-6-3-7-20-39)38-53(63-60)40-21-8-4-9-22-40)57-47-29-14-17-32-55(47)65(59(57)58)44-33-34-56-49(36-44)45-27-13-16-31-54(45)64(56)43-25-10-5-11-26-43/h3-13,15-28,30-38,46,50H,14,29H2,1-2H3
InChIKeyIFOXFFXHSMQHAP-UHFFFAOYSA-N
XLogP15.26
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500835.07
LogP ≤ 515.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethyl-12-(9-phenylcarbazol-3-yl)-3,4,7a,11a-tetrahydroindeno[1,2-a]carbazole with MolForge

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Related Compounds

9-[4-[6-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]carbazole
CID 138614706
9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]-3-(9-phenyl-5,6-dihydrocarbazol-2-yl)carbazole
CID 155203911
9-[4-[4-[7-[3-[7-[4,6-bis(4-carbazol-9-ylphenyl)-1,3,5-triazin-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9,9-dimethylfluoren-2-yl]-6-[4-(3,4-dihydrocarbazol-9-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]carbazole
CID 89338237
4-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]-9-[3-(9-phenyl-5,6-dihydrocarbazol-4-yl)phenyl]carbazole
CID 139456072
9-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-14-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16-octaene
CID 170137828
3-[9-[4,6-bis(4-phenylphenyl)pyrimidin-2-yl]-5,6-dihydrocarbazol-3-yl]-9-phenylcarbazole
CID 89431253
12-[3-[2-(9,9-dimethyl-4b,8a-dihydrofluoren-2-yl)-6-phenylpyrimidin-4-yl]phenyl]-12-azapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 134222277
5-(4,6-diphenylpyrimidin-2-yl)-7-phenyl-10,11-dihydroindolo[2,3-b]carbazole
CID 170205043
9-phenyl-1-[3-phenyl-5-[3-(9-phenyl-5,6-dihydrocarbazol-1-yl)phenyl]phenyl]carbazole
CID 71135736
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
9-[4-[2,6-bis[3-[3,6-bis(9-phenylcarbazol-3-yl)carbazol-9-yl]phenyl]pyrimidin-4-yl]phenyl]-3,6-bis(9-phenylcarbazol-3-yl)carbazole
CID 126630575
2-(6-carbazol-9-yl-3,4-dihydrocarbazol-9-yl)-9-[3-(3-phenylphenyl)phenyl]carbazole
CID 170372272

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethyl-12-(9-phenylcarbazol-3-yl)-3,4,7a,11a-tetrahydroindeno[1,2-a]carbazole?
The IUPAC name of 5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethyl-12-(9-phenylcarbazol-3-yl)-3,4,7a,11a-tetrahydroindeno[1,2-a]carbazole (CID 145370305) is 5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethyl-12-(9-phenylcarbazol-3-yl)-3,4,7a,11a-tetrahydroindeno[1,2-a]carbazole.
What is the SMILES notation for 5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethyl-12-(9-phenylcarbazol-3-yl)-3,4,7a,11a-tetrahydroindeno[1,2-a]carbazole?
The canonical SMILES for 5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethyl-12-(9-phenylcarbazol-3-yl)-3,4,7a,11a-tetrahydroindeno[1,2-a]carbazole is CC1(C)c2cc(-c3cccc(-c4nc(-c5ccccc5)cc(-c5ccccc5)n4)c3)c3c4c(n(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)c3c2C2C=CC=CC21)C=CCC4.
What is the InChIKey of 5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethyl-12-(9-phenylcarbazol-3-yl)-3,4,7a,11a-tetrahydroindeno[1,2-a]carbazole?
The InChIKey is IFOXFFXHSMQHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H46N4/c1-61(2)50-30-15-12-28-46(50)58-51(61)37-48(41-23-18-24-42(35-41)60-62-52(39-19-6-3-7-20-39)38-53(63-60)40-21-8-4-9-22-40)57-47-29-14-17-32-55(47)65(59(57)58)44-33-34-56-49(36-44)45-27-13-16-31-54(45)64(56)43-25-10-5-11-26-43/h3-13,15-28,30-38,46,50H,14,29H2,1-2H3.
What are the key properties of 5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethyl-12-(9-phenylcarbazol-3-yl)-3,4,7a,11a-tetrahydroindeno[1,2-a]carbazole?
5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethyl-12-(9-phenylcarbazol-3-yl)-3,4,7a,11a-tetrahydroindeno[1,2-a]carbazole has a molecular weight of 835.07 g/mol, XLogP of 15.26, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-7,7-dimethyl-12-(9-phenylcarbazol-3-yl)-3,4,7a,11a-tetrahydroindeno[1,2-a]carbazole is sourced from PubChem (CID 145370305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).