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

C47H32N4 — CID 137433938

IUPAC5-[5,5-dimethyl-4-(9-phenylcarbazol-2-yl)indeno[1,2-d]pyrimidin-2-yl]benzo[b]carbazole
SMILESCC1(C)c2ccccc2-c2nc(-n3c4ccccc4c4cc5ccccc5cc43)nc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c21
InChIInChI=1S/C47H32N4/c1-47(2)38-21-11-8-20-36(38)45-43(47)44(31-24-25-35-33-18-9-12-22-39(33)50(41(35)28-31)32-16-4-3-5-17-32)48-46(49-45)51-40-23-13-10-19-34(40)37-26-29-14-6-7-15-30(29)27-42(37)51/h3-28H,1-2H3
InChIKeySNWSJDXHZWSVMZ-UHFFFAOYSA-N
MW652.80 g/mol
LogP11.80
Rot. Bonds3

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

5-[5,5-dimethyl-4-(9-phenylcarbazol-2-yl)indeno[1,2-d]pyrimidin-2-yl]benzo[b]carbazole (PubChem CID 137433938) has the molecular formula C47H32N4 and a molecular weight of 652.80 g/mol. Its IUPAC name is 5-[5,5-dimethyl-4-(9-phenylcarbazol-2-yl)indeno[1,2-d]pyrimidin-2-yl]benzo[b]carbazole.

Molecular Properties

Compound Name5-[5,5-dimethyl-4-(9-phenylcarbazol-2-yl)indeno[1,2-d]pyrimidin-2-yl]benzo[b]carbazole
PubChem CID137433938
Molecular FormulaC47H32N4
Molecular Weight652.80 g/mol
Exact Mass652.26
IUPAC Name5-[5,5-dimethyl-4-(9-phenylcarbazol-2-yl)indeno[1,2-d]pyrimidin-2-yl]benzo[b]carbazole
SMILESCC1(C)c2ccccc2-c2nc(-n3c4ccccc4c4cc5ccccc5cc43)nc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c21
InChIInChI=1S/C47H32N4/c1-47(2)38-21-11-8-20-36(38)45-43(47)44(31-24-25-35-33-18-9-12-22-39(33)50(41(35)28-31)32-16-4-3-5-17-32)48-46(49-45)51-40-23-13-10-19-34(40)37-26-29-14-6-7-15-30(29)27-42(37)51/h3-28H,1-2H3
InChIKeySNWSJDXHZWSVMZ-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

11-(5,5-dimethyl-4-phenylindeno[1,2-d]pyrimidin-2-yl)-5-phenylindolo[3,2-b]carbazole
CID 130333933
5-[4-(3,5-diphenylphenyl)-5,5-dimethylindeno[1,2-d]pyrimidin-2-yl]benzo[b]carbazole
CID 137433547
13-[5,5-dimethyl-4-(9-phenylcarbazol-3-yl)indeno[1,2-d]pyrimidin-2-yl]-13-azaheptacyclo[15.12.0.02,14.03,12.04,9.018,23.024,29]nonacosa-1(17),2(14),3(12),4,6,8,10,15,18,20,22,24,26,28-tetradecaene
CID 162473012
5-[4-(9,9-dimethylfluoren-2-yl)quinazolin-2-yl]-3-(9-phenylcarbazol-3-yl)benzo[b]carbazole
CID 146874125
5-[5,5-dimethyl-2-(9-phenylcarbazol-3-yl)indeno[1,2-d]pyrimidin-4-yl]benzo[b]carbazole
CID 146181776
2-(3-carbazol-9-ylphenyl)-5,5-dimethyl-4-(9-phenylcarbazol-3-yl)indeno[1,2-d]pyrimidine
CID 118100168
7,7-dimethyl-2-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzo[e]perimidine
CID 147523957
5,5-dimethyl-4-[4-(9-phenylcarbazol-3-yl)phenyl]-2-(3-phenylphenyl)indeno[1,2-d]pyrimidine
CID 118100275
5-[4-(9,9-dimethylfluoren-1-yl)-6-phenylquinazolin-2-yl]benzo[b]carbazole
CID 139362284
4-[4-(3-carbazol-9-ylphenyl)phenyl]-5,5-dimethyl-2-phenylindeno[1,2-d]pyrimidine
CID 118476770
12-(9,9-dimethylfluoren-2-yl)-16-(4-phenylquinazolin-2-yl)-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;16-(4-naphthalen-1-ylquinazolin-2-yl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene;16-(4-naphthalen-2-ylquinazolin-2-yl)-12-phenyl-12,16-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene
CID 158538438
7,7-dimethyl-2-[5-(9-phenylcarbazol-2-yl)benzo[a]carbazol-11-yl]benzo[e]perimidine
CID 147745143

Frequently Asked Questions

What is the IUPAC name of 5-[5,5-dimethyl-4-(9-phenylcarbazol-2-yl)indeno[1,2-d]pyrimidin-2-yl]benzo[b]carbazole?
The IUPAC name of 5-[5,5-dimethyl-4-(9-phenylcarbazol-2-yl)indeno[1,2-d]pyrimidin-2-yl]benzo[b]carbazole (CID 137433938) is 5-[5,5-dimethyl-4-(9-phenylcarbazol-2-yl)indeno[1,2-d]pyrimidin-2-yl]benzo[b]carbazole.
What is the SMILES notation for 5-[5,5-dimethyl-4-(9-phenylcarbazol-2-yl)indeno[1,2-d]pyrimidin-2-yl]benzo[b]carbazole?
The canonical SMILES for 5-[5,5-dimethyl-4-(9-phenylcarbazol-2-yl)indeno[1,2-d]pyrimidin-2-yl]benzo[b]carbazole is CC1(C)c2ccccc2-c2nc(-n3c4ccccc4c4cc5ccccc5cc43)nc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)c21.
What is the InChIKey of 5-[5,5-dimethyl-4-(9-phenylcarbazol-2-yl)indeno[1,2-d]pyrimidin-2-yl]benzo[b]carbazole?
The InChIKey is SNWSJDXHZWSVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32N4/c1-47(2)38-21-11-8-20-36(38)45-43(47)44(31-24-25-35-33-18-9-12-22-39(33)50(41(35)28-31)32-16-4-3-5-17-32)48-46(49-45)51-40-23-13-10-19-34(40)37-26-29-14-6-7-15-30(29)27-42(37)51/h3-28H,1-2H3.
What are the key properties of 5-[5,5-dimethyl-4-(9-phenylcarbazol-2-yl)indeno[1,2-d]pyrimidin-2-yl]benzo[b]carbazole?
5-[5,5-dimethyl-4-(9-phenylcarbazol-2-yl)indeno[1,2-d]pyrimidin-2-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-4-(9-phenylcarbazol-2-yl)indeno[1,2-d]pyrimidin-2-yl]benzo[b]carbazole is sourced from PubChem (CID 137433938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).