9-[4-(3,5-diphenylphenyl)-7,7-dimethyl-4H-cyclopenta[d]pyrimidin-3-id-2-yl]carbazole

C39H30N3- — CID 144816378

IUPAC9-[4-(3,5-diphenylphenyl)-7,7-dimethyl-4H-cyclopenta[d]pyrimidin-3-id-2-yl]carbazole
SMILESCC1(C)C=CC2=C1N=C(n1c3ccccc3c3ccccc31)[N-]C2c1cc(-c2ccccc2)cc(-c2ccccc2)c1
InChIInChI=1S/C39H30N3/c1-39(2)22-21-33-36(30-24-28(26-13-5-3-6-14-26)23-29(25-30)27-15-7-4-8-16-27)40-38(41-37(33)39)42-34-19-11-9-17-31(34)32-18-10-12-20-35(32)42/h3-25,36H,1-2H3/q-1
InChIKeyQHZYROSTNUIRPP-UHFFFAOYSA-N
MW540.69 g/mol
LogP10.31
Rot. Bonds3

About 9-[4-(3,5-diphenylphenyl)-7,7-dimethyl-4H-cyclopenta[d]pyrimidin-3-id-2-yl]carbazole

9-[4-(3,5-diphenylphenyl)-7,7-dimethyl-4H-cyclopenta[d]pyrimidin-3-id-2-yl]carbazole (PubChem CID 144816378) has the molecular formula C39H30N3- and a molecular weight of 540.69 g/mol. Its IUPAC name is 9-[4-(3,5-diphenylphenyl)-7,7-dimethyl-4H-cyclopenta[d]pyrimidin-3-id-2-yl]carbazole.

Molecular Properties

Compound Name9-[4-(3,5-diphenylphenyl)-7,7-dimethyl-4H-cyclopenta[d]pyrimidin-3-id-2-yl]carbazole
PubChem CID144816378
Molecular FormulaC39H30N3-
Molecular Weight540.69 g/mol
Exact Mass540.24
IUPAC Name9-[4-(3,5-diphenylphenyl)-7,7-dimethyl-4H-cyclopenta[d]pyrimidin-3-id-2-yl]carbazole
SMILESCC1(C)C=CC2=C1N=C(n1c3ccccc3c3ccccc31)[N-]C2c1cc(-c2ccccc2)cc(-c2ccccc2)c1
InChIInChI=1S/C39H30N3/c1-39(2)22-21-33-36(30-24-28(26-13-5-3-6-14-26)23-29(25-30)27-15-7-4-8-16-27)40-38(41-37(33)39)42-34-19-11-9-17-31(34)32-18-10-12-20-35(32)42/h3-25,36H,1-2H3/q-1
InChIKeyQHZYROSTNUIRPP-UHFFFAOYSA-N
XLogP10.31
TPSA31.39 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500540.69
LogP ≤ 510.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-[3-carbazol-9-yl-5-(3-carbazol-9-yl-5-phenylphenyl)phenyl]carbazole
CID 58769488
9-[3-carbazol-9-yl-5-[3-phenyl-5-(4-phenylphenyl)phenyl]phenyl]carbazole
CID 176740225
9-(3,5-diphenylphenyl)carbazole
CID 86068368
9-[4-carbazol-9-yl-6-[4-[3-[4-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]phenyl]-5-(3,5-diphenylphenyl)phenyl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 58943291
9-[4-carbazol-9-yl-6-[3-phenyl-5-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]carbazole
CID 168742447
9-[4,6-bis(3,5-diphenylphenyl)pyrimidin-2-yl]carbazole
CID 59194567
10-(3,5-diphenylphenyl)-3,3-dimethylcyclopenta[a]carbazole
CID 121322447
9-[3,5-bis(4-carbazol-9-ylphenyl)phenyl]carbazole;9-[3-carbazol-9-yl-5-(3,5-diphenylphenyl)phenyl]carbazole
CID 165005814
9-[4-[3-[4-(4,6-diphenyl-2-pyridinyl)phenyl]-5-phenylphenyl]phenyl]carbazole
CID 58943692
9-[4-(3,5-diphenylphenyl)phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 118231210
3,9-diphenyl-6-[3-(9-phenylcarbazol-3-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492191
9-[3-carbazol-9-yl-5-[7-[6-(4-carbazol-9-ylphenyl)-4-phenyl-2-pyridinyl]-9,9-dimethylfluoren-2-yl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[3-[6-(4-carbazol-9-ylphenyl)-4-phenyl-2-pyridinyl]phenyl]phenyl]carbazole;9-[3-carbazol-9-yl-5-[4-[6-(4-carbazol-9-ylphenyl)-4-phenyl-2-pyridinyl]phenyl]phenyl]carbazole
CID 159181801

Frequently Asked Questions

What is the IUPAC name of 9-[4-(3,5-diphenylphenyl)-7,7-dimethyl-4H-cyclopenta[d]pyrimidin-3-id-2-yl]carbazole?
The IUPAC name of 9-[4-(3,5-diphenylphenyl)-7,7-dimethyl-4H-cyclopenta[d]pyrimidin-3-id-2-yl]carbazole (CID 144816378) is 9-[4-(3,5-diphenylphenyl)-7,7-dimethyl-4H-cyclopenta[d]pyrimidin-3-id-2-yl]carbazole.
What is the SMILES notation for 9-[4-(3,5-diphenylphenyl)-7,7-dimethyl-4H-cyclopenta[d]pyrimidin-3-id-2-yl]carbazole?
The canonical SMILES for 9-[4-(3,5-diphenylphenyl)-7,7-dimethyl-4H-cyclopenta[d]pyrimidin-3-id-2-yl]carbazole is CC1(C)C=CC2=C1N=C(n1c3ccccc3c3ccccc31)[N-]C2c1cc(-c2ccccc2)cc(-c2ccccc2)c1.
What is the InChIKey of 9-[4-(3,5-diphenylphenyl)-7,7-dimethyl-4H-cyclopenta[d]pyrimidin-3-id-2-yl]carbazole?
The InChIKey is QHZYROSTNUIRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H30N3/c1-39(2)22-21-33-36(30-24-28(26-13-5-3-6-14-26)23-29(25-30)27-15-7-4-8-16-27)40-38(41-37(33)39)42-34-19-11-9-17-31(34)32-18-10-12-20-35(32)42/h3-25,36H,1-2H3/q-1.
What are the key properties of 9-[4-(3,5-diphenylphenyl)-7,7-dimethyl-4H-cyclopenta[d]pyrimidin-3-id-2-yl]carbazole?
9-[4-(3,5-diphenylphenyl)-7,7-dimethyl-4H-cyclopenta[d]pyrimidin-3-id-2-yl]carbazole has a molecular weight of 540.69 g/mol, XLogP of 10.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(3,5-diphenylphenyl)-7,7-dimethyl-4H-cyclopenta[d]pyrimidin-3-id-2-yl]carbazole is sourced from PubChem (CID 144816378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).