9-(9,9-dimethyl-7-phenylfluoren-2-yl)-3,6-diphenylcarbazole

C45H33N — CID 118475086

IUPAC9-(9,9-dimethyl-7-phenylfluoren-2-yl)-3,6-diphenylcarbazole
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cc21
InChIInChI=1S/C45H33N/c1-45(2)41-28-35(32-16-10-5-11-17-32)18-22-37(41)38-23-21-36(29-42(38)45)46-43-24-19-33(30-12-6-3-7-13-30)26-39(43)40-27-34(20-25-44(40)46)31-14-8-4-9-15-31/h3-29H,1-2H3
InChIKeyKYRREFYRHSYOLE-UHFFFAOYSA-N
MW587.77 g/mol
LogP12.09
Rot. Bonds4

About 9-(9,9-dimethyl-7-phenylfluoren-2-yl)-3,6-diphenylcarbazole

9-(9,9-dimethyl-7-phenylfluoren-2-yl)-3,6-diphenylcarbazole (PubChem CID 118475086) has the molecular formula C45H33N and a molecular weight of 587.77 g/mol. Its IUPAC name is 9-(9,9-dimethyl-7-phenylfluoren-2-yl)-3,6-diphenylcarbazole.

Molecular Properties

Compound Name9-(9,9-dimethyl-7-phenylfluoren-2-yl)-3,6-diphenylcarbazole
PubChem CID118475086
Molecular FormulaC45H33N
Molecular Weight587.77 g/mol
Exact Mass587.26
IUPAC Name9-(9,9-dimethyl-7-phenylfluoren-2-yl)-3,6-diphenylcarbazole
SMILESCC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cc21
InChIInChI=1S/C45H33N/c1-45(2)41-28-35(32-16-10-5-11-17-32)18-22-37(41)38-23-21-36(29-42(38)45)46-43-24-19-33(30-12-6-3-7-13-30)26-39(43)40-27-34(20-25-44(40)46)31-14-8-4-9-15-31/h3-29H,1-2H3
InChIKeyKYRREFYRHSYOLE-UHFFFAOYSA-N
XLogP12.09
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.77
LogP ≤ 512.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[9-[4-[2,6-bis(4-phenylphenyl)-4-pyridinyl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[7-(2,6-diphenyl-4-pyridinyl)-9,9-dimethylfluoren-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-[4-[2-phenyl-6-(4-phenylphenyl)-4-pyridinyl]phenyl]carbazole
CID 159697484
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
9-(11,11-dimethylfluoreno[3,2-b][1]benzofuran-9-yl)-3,6-diphenylcarbazole
CID 118098800
3,6-bis[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-[4-(10-phenylanthracen-9-yl)phenyl]carbazole
CID 59306698
7,7-dimethyl-5-(4-phenylphenyl)-2-[6-phenyl-9-(4-phenylphenyl)carbazol-3-yl]indeno[2,1-b]carbazole
CID 89472227
3-[6-[9,9-dimethyl-7-[6-(9-phenylcarbazol-3-yl)naphthalen-2-yl]fluoren-2-yl]naphthalen-2-yl]-9-phenylcarbazole
CID 59236707
N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;9,9-dimethyl-2-N,2-N,7-N,7-N-tetrakis(4-phenylphenyl)fluorene-2,7-diamine;7-(3,6-diphenylcarbazol-9-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine;N-[4-(6,9-diphenylcarbazol-3-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 158713660
3-[4-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]phenyl]-9-(6-phenylnaphthalen-2-yl)carbazole;3-[4-[9-(6-phenylnaphthalen-2-yl)carbazol-3-yl]phenyl]-9-(3-phenylphenyl)carbazole
CID 160879378
3-[9-[4-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[7-(2,6-diphenylpyrimidin-4-yl)-9,9-dimethylfluoren-2-yl]carbazol-3-yl]-9-phenylcarbazole;3-[9-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]carbazol-3-yl]-9-(4-phenylphenyl)carbazole;methane;3-(9-phenylcarbazol-3-yl)-9-[4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]carbazole
CID 157299718
9-naphthalen-2-yl-3-[6,6,12,12-tetramethyl-2-(9-naphthalen-2-ylcarbazol-3-yl)indeno[1,2-b]fluoren-8-yl]carbazole
CID 59236649
3-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9-(3,5-diphenylphenyl)carbazole
CID 129311960
9,9-dimethyl-N-phenyl-7-(3-phenylcarbazol-9-yl)-N-[3-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 58390145

Frequently Asked Questions

What is the IUPAC name of 9-(9,9-dimethyl-7-phenylfluoren-2-yl)-3,6-diphenylcarbazole?
The IUPAC name of 9-(9,9-dimethyl-7-phenylfluoren-2-yl)-3,6-diphenylcarbazole (CID 118475086) is 9-(9,9-dimethyl-7-phenylfluoren-2-yl)-3,6-diphenylcarbazole.
What is the SMILES notation for 9-(9,9-dimethyl-7-phenylfluoren-2-yl)-3,6-diphenylcarbazole?
The canonical SMILES for 9-(9,9-dimethyl-7-phenylfluoren-2-yl)-3,6-diphenylcarbazole is CC1(C)c2cc(-c3ccccc3)ccc2-c2ccc(-n3c4ccc(-c5ccccc5)cc4c4cc(-c5ccccc5)ccc43)cc21.
What is the InChIKey of 9-(9,9-dimethyl-7-phenylfluoren-2-yl)-3,6-diphenylcarbazole?
The InChIKey is KYRREFYRHSYOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H33N/c1-45(2)41-28-35(32-16-10-5-11-17-32)18-22-37(41)38-23-21-36(29-42(38)45)46-43-24-19-33(30-12-6-3-7-13-30)26-39(43)40-27-34(20-25-44(40)46)31-14-8-4-9-15-31/h3-29H,1-2H3.
What are the key properties of 9-(9,9-dimethyl-7-phenylfluoren-2-yl)-3,6-diphenylcarbazole?
9-(9,9-dimethyl-7-phenylfluoren-2-yl)-3,6-diphenylcarbazole has a molecular weight of 587.77 g/mol, XLogP of 12.09, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(9,9-dimethyl-7-phenylfluoren-2-yl)-3,6-diphenylcarbazole is sourced from PubChem (CID 118475086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).