2-[3-(12,12-dimethyl-8-phenyl-10H-indeno[2,1-b]fluoren-10-yl)phenyl]-4,6-diphenylpyrimidine

C50H36N2 — CID 126753349

IUPAC2-[3-(12,12-dimethyl-8-phenyl-10H-indeno[2,1-b]fluoren-10-yl)phenyl]-4,6-diphenylpyrimidine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)C(c1cccc(-c2nc(-c4ccccc4)cc(-c4ccccc4)n2)c1)c1cc(-c2ccccc2)ccc1-3
InChIInChI=1S/C50H36N2/c1-50(2)44-24-13-12-23-39(44)41-29-40-38-26-25-35(32-15-6-3-7-16-32)28-42(38)48(43(40)30-45(41)50)36-21-14-22-37(27-36)49-51-46(33-17-8-4-9-18-33)31-47(52-49)34-19-10-5-11-20-34/h3-31,48H,1-2H3
InChIKeyVTGGVWXLLCVEJK-UHFFFAOYSA-N
MW664.85 g/mol
LogP12.61
Rot. Bonds5

About 2-[3-(12,12-dimethyl-8-phenyl-10H-indeno[2,1-b]fluoren-10-yl)phenyl]-4,6-diphenylpyrimidine

2-[3-(12,12-dimethyl-8-phenyl-10H-indeno[2,1-b]fluoren-10-yl)phenyl]-4,6-diphenylpyrimidine (PubChem CID 126753349) has the molecular formula C50H36N2 and a molecular weight of 664.85 g/mol. Its IUPAC name is 2-[3-(12,12-dimethyl-8-phenyl-10H-indeno[2,1-b]fluoren-10-yl)phenyl]-4,6-diphenylpyrimidine.

Molecular Properties

Compound Name2-[3-(12,12-dimethyl-8-phenyl-10H-indeno[2,1-b]fluoren-10-yl)phenyl]-4,6-diphenylpyrimidine
PubChem CID126753349
Molecular FormulaC50H36N2
Molecular Weight664.85 g/mol
Exact Mass664.29
IUPAC Name2-[3-(12,12-dimethyl-8-phenyl-10H-indeno[2,1-b]fluoren-10-yl)phenyl]-4,6-diphenylpyrimidine
SMILESCC1(C)c2ccccc2-c2cc3c(cc21)C(c1cccc(-c2nc(-c4ccccc4)cc(-c4ccccc4)n2)c1)c1cc(-c2ccccc2)ccc1-3
InChIInChI=1S/C50H36N2/c1-50(2)44-24-13-12-23-39(44)41-29-40-38-26-25-35(32-15-6-3-7-16-32)28-42(38)48(43(40)30-45(41)50)36-21-14-22-37(27-36)49-51-46(33-17-8-4-9-18-33)31-47(52-49)34-19-10-5-11-20-34/h3-31,48H,1-2H3
InChIKeyVTGGVWXLLCVEJK-UHFFFAOYSA-N
XLogP12.61
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500664.85
LogP ≤ 512.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 121450777
2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine
CID 121450738
2-(10,10-dimethyl-12H-indeno[2,3-b]fluoren-12-yl)-4,6-bis[3-(3,5-diphenylphenyl)phenyl]-1,3,5-triazine
CID 126632871
4-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-[11-[4-[2-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenylpyrimidin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenylpyrimidine
CID 165151041
2-[3-[4-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)pyrimidine
CID 167344461
2-(9,9-dimethylfluoren-2-yl)-4-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine;2-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-[6-(9,9-dimethylfluoren-3-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 158946887
2-[3-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-bis(9,9-dimethylfluoren-2-yl)-1,3,5-triazine;2-[3-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazine;2-[3-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 162132330
2-[4-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 121450705
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4-[11-[4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]-4-pentacyclo[6.6.6.02,7.09,14.015,20]icosa-2(7),3,5,9(14),10,12,15,17,19-nonaenyl]-6-phenyl-1,3,5-triazine
CID 165151550
4-(9,9-dimethylfluoren-2-yl)-2,6-diphenylpyrimidine
CID 139366503
2-(9,9-dimethylfluoren-3-yl)-4-[3-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 154613773
2-[3-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenylpyridine;4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2,6-diphenylpyridine;2-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine;4-[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,6-diphenylpyrimidine
CID 158944197

Frequently Asked Questions

What is the IUPAC name of 2-[3-(12,12-dimethyl-8-phenyl-10H-indeno[2,1-b]fluoren-10-yl)phenyl]-4,6-diphenylpyrimidine?
The IUPAC name of 2-[3-(12,12-dimethyl-8-phenyl-10H-indeno[2,1-b]fluoren-10-yl)phenyl]-4,6-diphenylpyrimidine (CID 126753349) is 2-[3-(12,12-dimethyl-8-phenyl-10H-indeno[2,1-b]fluoren-10-yl)phenyl]-4,6-diphenylpyrimidine.
What is the SMILES notation for 2-[3-(12,12-dimethyl-8-phenyl-10H-indeno[2,1-b]fluoren-10-yl)phenyl]-4,6-diphenylpyrimidine?
The canonical SMILES for 2-[3-(12,12-dimethyl-8-phenyl-10H-indeno[2,1-b]fluoren-10-yl)phenyl]-4,6-diphenylpyrimidine is CC1(C)c2ccccc2-c2cc3c(cc21)C(c1cccc(-c2nc(-c4ccccc4)cc(-c4ccccc4)n2)c1)c1cc(-c2ccccc2)ccc1-3.
What is the InChIKey of 2-[3-(12,12-dimethyl-8-phenyl-10H-indeno[2,1-b]fluoren-10-yl)phenyl]-4,6-diphenylpyrimidine?
The InChIKey is VTGGVWXLLCVEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H36N2/c1-50(2)44-24-13-12-23-39(44)41-29-40-38-26-25-35(32-15-6-3-7-16-32)28-42(38)48(43(40)30-45(41)50)36-21-14-22-37(27-36)49-51-46(33-17-8-4-9-18-33)31-47(52-49)34-19-10-5-11-20-34/h3-31,48H,1-2H3.
What are the key properties of 2-[3-(12,12-dimethyl-8-phenyl-10H-indeno[2,1-b]fluoren-10-yl)phenyl]-4,6-diphenylpyrimidine?
2-[3-(12,12-dimethyl-8-phenyl-10H-indeno[2,1-b]fluoren-10-yl)phenyl]-4,6-diphenylpyrimidine has a molecular weight of 664.85 g/mol, XLogP of 12.61, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(12,12-dimethyl-8-phenyl-10H-indeno[2,1-b]fluoren-10-yl)phenyl]-4,6-diphenylpyrimidine is sourced from PubChem (CID 126753349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).