5-[5,5-dimethyl-2-(9-phenylcarbazol-3-yl)indeno[1,2-d]pyrimidin-4-yl]benzo[b]carbazole

C47H32N4 — CID 146181776

IUPAC5-[5,5-dimethyl-2-(9-phenylcarbazol-3-yl)indeno[1,2-d]pyrimidin-4-yl]benzo[b]carbazole
SMILESCC1(C)c2ccccc2-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc(-n3c4ccccc4c4cc5ccccc5cc43)c21
InChIInChI=1S/C47H32N4/c1-47(2)38-21-11-8-20-35(38)44-43(47)46(51-40-23-13-10-19-34(40)37-26-29-14-6-7-15-30(29)28-42(37)51)49-45(48-44)31-24-25-41-36(27-31)33-18-9-12-22-39(33)50(41)32-16-4-3-5-17-32/h3-28H,1-2H3
InChIKeyACWSSAODAVIEFC-UHFFFAOYSA-N
MW652.80 g/mol
LogP11.80
Rot. Bonds3

About 5-[5,5-dimethyl-2-(9-phenylcarbazol-3-yl)indeno[1,2-d]pyrimidin-4-yl]benzo[b]carbazole

5-[5,5-dimethyl-2-(9-phenylcarbazol-3-yl)indeno[1,2-d]pyrimidin-4-yl]benzo[b]carbazole (PubChem CID 146181776) has the molecular formula C47H32N4 and a molecular weight of 652.80 g/mol. Its IUPAC name is 5-[5,5-dimethyl-2-(9-phenylcarbazol-3-yl)indeno[1,2-d]pyrimidin-4-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[5,5-dimethyl-2-(9-phenylcarbazol-3-yl)indeno[1,2-d]pyrimidin-4-yl]benzo[b]carbazole
PubChem CID146181776
Molecular FormulaC47H32N4
Molecular Weight652.80 g/mol
Exact Mass652.26
IUPAC Name5-[5,5-dimethyl-2-(9-phenylcarbazol-3-yl)indeno[1,2-d]pyrimidin-4-yl]benzo[b]carbazole
SMILESCC1(C)c2ccccc2-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc(-n3c4ccccc4c4cc5ccccc5cc43)c21
InChIInChI=1S/C47H32N4/c1-47(2)38-21-11-8-20-35(38)44-43(47)46(51-40-23-13-10-19-34(40)37-26-29-14-6-7-15-30(29)28-42(37)51)49-45(48-44)31-24-25-41-36(27-31)33-18-9-12-22-39(33)50(41)32-16-4-3-5-17-32/h3-28H,1-2H3
InChIKeyACWSSAODAVIEFC-UHFFFAOYSA-N
XLogP11.80
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.80
LogP ≤ 511.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-carbazol-9-ylphenyl)-5,5-dimethyl-4-(9-phenylcarbazol-3-yl)indeno[1,2-d]pyrimidine
CID 118100168
12-[2-(9,9-dimethylfluoren-3-yl)-5,5-dimethylindeno[1,2-d]pyrimidin-4-yl]-12-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,13,15,17,19-decaene
CID 146392053
5-[2-(4-isocyanophenyl)-5,5-dimethylindeno[1,2-d]pyrimidin-4-yl]benzo[b]carbazole
CID 153453081
5,5-dimethyl-4-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(3-phenylphenyl)indeno[1,2-d]pyrimidine
CID 118100275
5-[5,5-dimethyl-4-(9-phenylcarbazol-2-yl)indeno[1,2-d]pyrimidin-2-yl]benzo[b]carbazole
CID 137433938
5-[5,5-dimethyl-2-(9,9'-spirobi[fluorene]-4'-yl)indeno[1,2-d]pyrimidin-4-yl]benzo[b]carbazole
CID 146391930
5-[4-[4-naphthalen-1-yl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]benzo[b]carbazole
CID 146621053
4-[4-(3-carbazol-9-ylphenyl)phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine
CID 118476770
5-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)-7,7-dimethylindeno[2,1-b]carbazole;7-[4-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)phenyl]-[1]benzofuro[2,3-b]carbazole;5-(5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidin-4-yl)-7-phenylindolo[2,3-b]carbazole
CID 159218476
11-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 130333933
5-[2-(9,9-dimethylfluoren-3-yl)quinazolin-4-yl]benzo[b]carbazole
CID 139361545
5-[2-(9,9-dimethylfluoren-2-yl)quinazolin-4-yl]benzo[b]carbazole
CID 139361806

Frequently Asked Questions

What is the IUPAC name of 5-[5,5-dimethyl-2-(9-phenylcarbazol-3-yl)indeno[1,2-d]pyrimidin-4-yl]benzo[b]carbazole?
The IUPAC name of 5-[5,5-dimethyl-2-(9-phenylcarbazol-3-yl)indeno[1,2-d]pyrimidin-4-yl]benzo[b]carbazole (CID 146181776) is 5-[5,5-dimethyl-2-(9-phenylcarbazol-3-yl)indeno[1,2-d]pyrimidin-4-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[5,5-dimethyl-2-(9-phenylcarbazol-3-yl)indeno[1,2-d]pyrimidin-4-yl]benzo[b]carbazole?
The canonical SMILES for 5-[5,5-dimethyl-2-(9-phenylcarbazol-3-yl)indeno[1,2-d]pyrimidin-4-yl]benzo[b]carbazole is CC1(C)c2ccccc2-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc(-n3c4ccccc4c4cc5ccccc5cc43)c21.
What is the InChIKey of 5-[5,5-dimethyl-2-(9-phenylcarbazol-3-yl)indeno[1,2-d]pyrimidin-4-yl]benzo[b]carbazole?
The InChIKey is ACWSSAODAVIEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32N4/c1-47(2)38-21-11-8-20-35(38)44-43(47)46(51-40-23-13-10-19-34(40)37-26-29-14-6-7-15-30(29)28-42(37)51)49-45(48-44)31-24-25-41-36(27-31)33-18-9-12-22-39(33)50(41)32-16-4-3-5-17-32/h3-28H,1-2H3.
What are the key properties of 5-[5,5-dimethyl-2-(9-phenylcarbazol-3-yl)indeno[1,2-d]pyrimidin-4-yl]benzo[b]carbazole?
5-[5,5-dimethyl-2-(9-phenylcarbazol-3-yl)indeno[1,2-d]pyrimidin-4-yl]benzo[b]carbazole has a molecular weight of 652.80 g/mol, XLogP of 11.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5,5-dimethyl-2-(9-phenylcarbazol-3-yl)indeno[1,2-d]pyrimidin-4-yl]benzo[b]carbazole is sourced from PubChem (CID 146181776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).