3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-(6-phenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]carbazole

C49H39N3 — CID 129311931

IUPAC3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-(6-phenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(C5NCC=C(c6ccccc6)N5)cc4)cc3)cc21
InChIInChI=1S/C49H39N3/c1-49(2)43-14-8-6-12-39(43)40-26-22-37(31-44(40)49)33-18-16-32(17-19-33)36-23-27-47-42(30-36)41-13-7-9-15-46(41)52(47)38-24-20-35(21-25-38)48-50-29-28-45(51-48)34-10-4-3-5-11-34/h3-28,30-31,48,50-51H,29H2,1-2H3
InChIKeyDOLCGEXEKHLLIJ-UHFFFAOYSA-N
MW669.87 g/mol
LogP11.66
Rot. Bonds5

About 3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-(6-phenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]carbazole

3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-(6-phenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]carbazole (PubChem CID 129311931) has the molecular formula C49H39N3 and a molecular weight of 669.87 g/mol. Its IUPAC name is 3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-(6-phenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-(6-phenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]carbazole
PubChem CID129311931
Molecular FormulaC49H39N3
Molecular Weight669.87 g/mol
Exact Mass669.31
IUPAC Name3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-(6-phenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]carbazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(C5NCC=C(c6ccccc6)N5)cc4)cc3)cc21
InChIInChI=1S/C49H39N3/c1-49(2)43-14-8-6-12-39(43)40-26-22-37(31-44(40)49)33-18-16-32(17-19-33)36-23-27-47-42(30-36)41-13-7-9-15-46(41)52(47)38-24-20-35(21-25-38)48-50-29-28-45(51-48)34-10-4-3-5-11-34/h3-28,30-31,48,50-51H,29H2,1-2H3
InChIKeyDOLCGEXEKHLLIJ-UHFFFAOYSA-N
XLogP11.66
TPSA28.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500669.87
LogP ≤ 511.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-phenylcarbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(3-phenylphenyl)carbazole;3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 163801693
3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 129311960
9-[4-[4-(9,9-dimethylfluoren-2-yl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-3-phenylcarbazole
CID 158012983
3-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 129311922
5-[4-(9,9-dimethylfluoren-2-yl)phenyl]-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 171414999
3-[3-(9,9-dimethylfluoren-2-yl)-5-triphenylen-2-ylphenyl]-6,9-diphenylcarbazole;9-phenyl-3-[3-(3-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole;9-phenyl-3-[3-(4-phenylphenyl)-5-triphenylen-2-ylphenyl]carbazole
CID 161477367
3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59306698
3-(9,9-dimethylfluoren-2-yl)-9-(3,5-diphenylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole;9-(3,5-diphenylphenyl)-3-phenyl-6-(9-phenylcarbazol-3-yl)carbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)carbazole
CID 158206724
2-[3-(9,9-dimethylfluoren-2-yl)-5-(3-phenylcarbazol-9-yl)phenyl]-9-phenylcarbazole
CID 122492205
2-carbazol-9-yl-7,7-dimethyl-5-(4-phenylphenyl)indeno[2,1-b]carbazole;7,7-dimethyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]-5-(4-phenylphenyl)indeno[2,1-b]carbazole
CID 159588417
11,11-dimethyl-5-(4-phenylphenyl)indeno[1,2-b]carbazole
CID 58059239
7,7-dimethyl-5-(4-phenylphenyl)-2-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole
CID 89472227

Frequently Asked Questions

What is the IUPAC name of 3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-(6-phenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]carbazole?
The IUPAC name of 3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-(6-phenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]carbazole (CID 129311931) is 3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-(6-phenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]carbazole.
What is the SMILES notation for 3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-(6-phenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]carbazole?
The canonical SMILES for 3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-(6-phenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]carbazole is CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccc(C5NCC=C(c6ccccc6)N5)cc4)cc3)cc21.
What is the InChIKey of 3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-(6-phenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]carbazole?
The InChIKey is DOLCGEXEKHLLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H39N3/c1-49(2)43-14-8-6-12-39(43)40-26-22-37(31-44(40)49)33-18-16-32(17-19-33)36-23-27-47-42(30-36)41-13-7-9-15-46(41)52(47)38-24-20-35(21-25-38)48-50-29-28-45(51-48)34-10-4-3-5-11-34/h3-28,30-31,48,50-51H,29H2,1-2H3.
What are the key properties of 3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-(6-phenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]carbazole?
3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-(6-phenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]carbazole has a molecular weight of 669.87 g/mol, XLogP of 11.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-[4-(6-phenyl-1,2,3,4-tetrahydropyrimidin-2-yl)phenyl]carbazole is sourced from PubChem (CID 129311931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).