7-[4-(9,9-dimethyl-6-phenyl-4-pyridin-3-ylindeno[2,1-d]pyrimidin-2-yl)phenyl]benzo[c]carbazole

C46H32N4 — CID 137433920

IUPAC7-[4-(9,9-dimethyl-6-phenyl-4-pyridin-3-ylindeno[2,1-d]pyrimidin-2-yl)phenyl]benzo[c]carbazole
SMILESCC1(C)c2ccc(-c3ccccc3)cc2-c2c(-c3cccnc3)nc(-c3ccc(-n4c5ccccc5c5c6ccccc6ccc54)cc3)nc21
InChIInChI=1S/C46H32N4/c1-46(2)38-24-20-32(29-11-4-3-5-12-29)27-37(38)42-43(33-14-10-26-47-28-33)48-45(49-44(42)46)31-18-22-34(23-19-31)50-39-17-9-8-16-36(39)41-35-15-7-6-13-30(35)21-25-40(41)50/h3-28H,1-2H3
InChIKeyXITGOPDIHSPACN-UHFFFAOYSA-N
MW640.79 g/mol
LogP11.43
Rot. Bonds4

About 7-[4-(9,9-dimethyl-6-phenyl-4-pyridin-3-ylindeno[2,1-d]pyrimidin-2-yl)phenyl]benzo[c]carbazole

7-[4-(9,9-dimethyl-6-phenyl-4-pyridin-3-ylindeno[2,1-d]pyrimidin-2-yl)phenyl]benzo[c]carbazole (PubChem CID 137433920) has the molecular formula C46H32N4 and a molecular weight of 640.79 g/mol. Its IUPAC name is 7-[4-(9,9-dimethyl-6-phenyl-4-pyridin-3-ylindeno[2,1-d]pyrimidin-2-yl)phenyl]benzo[c]carbazole.

Molecular Properties

Compound Name7-[4-(9,9-dimethyl-6-phenyl-4-pyridin-3-ylindeno[2,1-d]pyrimidin-2-yl)phenyl]benzo[c]carbazole
PubChem CID137433920
Molecular FormulaC46H32N4
Molecular Weight640.79 g/mol
Exact Mass640.26
IUPAC Name7-[4-(9,9-dimethyl-6-phenyl-4-pyridin-3-ylindeno[2,1-d]pyrimidin-2-yl)phenyl]benzo[c]carbazole
SMILESCC1(C)c2ccc(-c3ccccc3)cc2-c2c(-c3cccnc3)nc(-c3ccc(-n4c5ccccc5c5c6ccccc6ccc54)cc3)nc21
InChIInChI=1S/C46H32N4/c1-46(2)38-24-20-32(29-11-4-3-5-12-29)27-37(38)42-43(33-14-10-26-47-28-33)48-45(49-44(42)46)31-18-22-34(23-19-31)50-39-17-9-8-16-36(39)41-35-15-7-6-13-30(35)21-25-40(41)50/h3-28H,1-2H3
InChIKeyXITGOPDIHSPACN-UHFFFAOYSA-N
XLogP11.43
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.79
LogP ≤ 511.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-[4-[2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]benzo[c]carbazole
CID 121422958
5-[4-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)phenyl]-7-phenylindolo[2,3-b]carbazole
CID 130334179
14-[4-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)phenyl]-9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 130333723
5-[4-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)phenyl]-11,11-dimethylindeno[1,2-b]carbazole
CID 130333683
10-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]-7-phenylbenzo[c]carbazole
CID 58511518
7-phenyl-9-(9-pyridin-3-ylcarbazol-3-yl)benzo[c]carbazole
CID 129294310
12-[4-(9,9-dimethyl-2-phenylindeno[2,1-d]pyrimidin-4-yl)phenyl]-11-phenylindolo[2,3-a]carbazole
CID 130334084
12-[3-(9,9-dimethyl-4-phenylindeno[2,1-d]pyrimidin-2-yl)phenyl]-5-phenylindolo[3,2-c]carbazole
CID 130333583
7-[4-[3-[4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[c]carbazole
CID 166916612
7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-3-(6-naphthalen-1-ylnaphthalen-2-yl)benzo[c]carbazole
CID 130351461
18-[3-[4-[2-(14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-9-yl)pyrimidin-5-yl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]-9-isoquinolin-6-yl-14,14-dimethyl-9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaene
CID 155257375
7-[3-[4-[4-phenyl-6-(9-phenylcarbazol-3-yl)-1,3,5-triazin-2-yl]phenyl]phenyl]benzo[c]carbazole
CID 166915910

Frequently Asked Questions

What is the IUPAC name of 7-[4-(9,9-dimethyl-6-phenyl-4-pyridin-3-ylindeno[2,1-d]pyrimidin-2-yl)phenyl]benzo[c]carbazole?
The IUPAC name of 7-[4-(9,9-dimethyl-6-phenyl-4-pyridin-3-ylindeno[2,1-d]pyrimidin-2-yl)phenyl]benzo[c]carbazole (CID 137433920) is 7-[4-(9,9-dimethyl-6-phenyl-4-pyridin-3-ylindeno[2,1-d]pyrimidin-2-yl)phenyl]benzo[c]carbazole.
What is the SMILES notation for 7-[4-(9,9-dimethyl-6-phenyl-4-pyridin-3-ylindeno[2,1-d]pyrimidin-2-yl)phenyl]benzo[c]carbazole?
The canonical SMILES for 7-[4-(9,9-dimethyl-6-phenyl-4-pyridin-3-ylindeno[2,1-d]pyrimidin-2-yl)phenyl]benzo[c]carbazole is CC1(C)c2ccc(-c3ccccc3)cc2-c2c(-c3cccnc3)nc(-c3ccc(-n4c5ccccc5c5c6ccccc6ccc54)cc3)nc21.
What is the InChIKey of 7-[4-(9,9-dimethyl-6-phenyl-4-pyridin-3-ylindeno[2,1-d]pyrimidin-2-yl)phenyl]benzo[c]carbazole?
The InChIKey is XITGOPDIHSPACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H32N4/c1-46(2)38-24-20-32(29-11-4-3-5-12-29)27-37(38)42-43(33-14-10-26-47-28-33)48-45(49-44(42)46)31-18-22-34(23-19-31)50-39-17-9-8-16-36(39)41-35-15-7-6-13-30(35)21-25-40(41)50/h3-28H,1-2H3.
What are the key properties of 7-[4-(9,9-dimethyl-6-phenyl-4-pyridin-3-ylindeno[2,1-d]pyrimidin-2-yl)phenyl]benzo[c]carbazole?
7-[4-(9,9-dimethyl-6-phenyl-4-pyridin-3-ylindeno[2,1-d]pyrimidin-2-yl)phenyl]benzo[c]carbazole has a molecular weight of 640.79 g/mol, XLogP of 11.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(9,9-dimethyl-6-phenyl-4-pyridin-3-ylindeno[2,1-d]pyrimidin-2-yl)phenyl]benzo[c]carbazole is sourced from PubChem (CID 137433920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).