2-(9,9-dimethylfluoren-1-yl)-5,9,9-trimethylfluorene;2-(9,9-diphenylfluoren-4-yl)-5,9,9-trimethylfluorene;4-(2-methylphenyl)-1,9-diphenylcarbazole

C103H83N — CID 162160735

IUPAC2-(9,9-dimethylfluoren-1-yl)-5,9,9-trimethylfluorene;2-(9,9-diphenylfluoren-4-yl)-5,9,9-trimethylfluorene;4-(2-methylphenyl)-1,9-diphenylcarbazole
SMILESCc1cccc2c1-c1ccc(-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc1C2(C)C.Cc1cccc2c1-c1ccc(-c3cccc4c3C(C)(C)c3ccccc3-4)cc1C2(C)C.Cc1ccccc1-c1ccc(-c2ccccc2)c2c1c1ccccc1n2-c1ccccc1
InChIInChI=1S/C41H32.C31H23N.C31H28/c1-27-14-12-22-35-38(27)33-25-24-28(26-37(33)40(35,2)3)31-20-13-23-36-39(31)32-19-10-11-21-34(32)41(36,29-15-6-4-7-16-29)30-17-8-5-9-18-30;1-22-12-8-9-17-25(22)27-21-20-26(23-13-4-2-5-14-23)31-30(27)28-18-10-11-19-29(28)32(31)24-15-6-3-7-16-24;1-19-10-8-15-26-28(19)24-17-16-20(18-27(24)30(26,2)3)21-12-9-13-23-22-11-6-7-14-25(22)31(4,5)29(21)23/h4-26H,1-3H3;2-21H,1H3;6-18H,1-5H3
InChIKeyZMLDEDNUFPDPGO-UHFFFAOYSA-N
MW1334.80 g/mol
LogP27.03
Rot. Bonds7

About 2-(9,9-dimethylfluoren-1-yl)-5,9,9-trimethylfluorene;2-(9,9-diphenylfluoren-4-yl)-5,9,9-trimethylfluorene;4-(2-methylphenyl)-1,9-diphenylcarbazole

2-(9,9-dimethylfluoren-1-yl)-5,9,9-trimethylfluorene;2-(9,9-diphenylfluoren-4-yl)-5,9,9-trimethylfluorene;4-(2-methylphenyl)-1,9-diphenylcarbazole (PubChem CID 162160735) has the molecular formula C103H83N and a molecular weight of 1334.80 g/mol. Its IUPAC name is 2-(9,9-dimethylfluoren-1-yl)-5,9,9-trimethylfluorene;2-(9,9-diphenylfluoren-4-yl)-5,9,9-trimethylfluorene;4-(2-methylphenyl)-1,9-diphenylcarbazole.

Molecular Properties

Compound Name2-(9,9-dimethylfluoren-1-yl)-5,9,9-trimethylfluorene;2-(9,9-diphenylfluoren-4-yl)-5,9,9-trimethylfluorene;4-(2-methylphenyl)-1,9-diphenylcarbazole
PubChem CID162160735
Molecular FormulaC103H83N
Molecular Weight1334.80 g/mol
Exact Mass1333.65
IUPAC Name2-(9,9-dimethylfluoren-1-yl)-5,9,9-trimethylfluorene;2-(9,9-diphenylfluoren-4-yl)-5,9,9-trimethylfluorene;4-(2-methylphenyl)-1,9-diphenylcarbazole
SMILESCc1cccc2c1-c1ccc(-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc1C2(C)C.Cc1cccc2c1-c1ccc(-c3cccc4c3C(C)(C)c3ccccc3-4)cc1C2(C)C.Cc1ccccc1-c1ccc(-c2ccccc2)c2c1c1ccccc1n2-c1ccccc1
InChIInChI=1S/C41H32.C31H23N.C31H28/c1-27-14-12-22-35-38(27)33-25-24-28(26-37(33)40(35,2)3)31-20-13-23-36-39(31)32-19-10-11-21-34(32)41(36,29-15-6-4-7-16-29)30-17-8-5-9-18-30;1-22-12-8-9-17-25(22)27-21-20-26(23-13-4-2-5-14-23)31-30(27)28-18-10-11-19-29(28)32(31)24-15-6-3-7-16-24;1-19-10-8-15-26-28(19)24-17-16-20(18-27(24)30(26,2)3)21-12-9-13-23-22-11-6-7-14-25(22)31(4,5)29(21)23/h4-26H,1-3H3;2-21H,1H3;6-18H,1-5H3
InChIKeyZMLDEDNUFPDPGO-UHFFFAOYSA-N
XLogP27.03
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms104
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001334.80
LogP ≤ 527.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(9,9-dimethylfluoren-1-yl)-5,9,9-trimethylfluorene;2-(9,9-diphenylfluoren-4-yl)-5,9,9-trimethylfluorene;4-(2-methylphenyl)-1,9-diphenylcarbazole with MolForge

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Related Compounds

9,9-dimethyl-N-phenyl-N-[4-(7,7,12-triphenylindeno[1,2-a]carbazol-5-yl)phenyl]fluoren-2-amine
CID 145370465
1-methyl-9,9-diphenylfluorene;2-methyl-9,9-diphenylfluorene;3-methyl-9,9-diphenylfluorene;4-methyl-9,9-diphenylfluorene;1-methyl-9-phenylcarbazole;2-methyl-9-phenylcarbazole;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene
CID 160789918
1-[3-(9,9-dimethylfluoren-2-yl)phenyl]-9-phenylcarbazole
CID 129312013
6-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-12-phenylindeno[1,2-a]carbazole
CID 134530411
5-(4-methylphenyl)-3,9-diphenylcarbazole;1,9,9-trimethylfluorene;2,9,9-trimethylfluorene;3,9,9-trimethylfluorene;4,9,9-trimethylfluorene;2,9,9-trimethyl-7-phenylfluorene
CID 162007597
N-(4-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-9,9-diphenylfluoren-4-amine
CID 126548866
3-(9,9-dimethylfluoren-2-yl)-N-(3,4-diphenylphenyl)-2-phenyl-N-[4-(9-phenylcarbazol-1-yl)phenyl]aniline
CID 170666044
9-[4-(9,9-dimethylfluoren-4-yl)phenyl]-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 166960980
9,9-bis[3-(9,9-dimethylfluoren-4-yl)phenyl]-4-methyl-5-phenylfluorene
CID 164755272
2-[9,9-diphenyl-5-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethyl-7-phenyl-10-(4-phenylphenyl)acridine
CID 155153866
5-(9,9-dimethylfluoren-2-yl)-12-(9,9-dimethylfluoren-4-yl)indolo[3,2-c]carbazole;12-(9,9-dimethylfluoren-1-yl)-5-(9,9-dimethylfluoren-2-yl)indolo[3,2-c]carbazole;5-(9,9-dimethylfluoren-2-yl)-12-phenylindolo[3,2-c]carbazole;5-(9,9-dimethylfluoren-2-yl)-12-(4-phenylphenyl)indolo[3,2-c]carbazole
CID 158730549
11-[4-(9,9-dimethylfluoren-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
CID 118487938

Frequently Asked Questions

What is the IUPAC name of 2-(9,9-dimethylfluoren-1-yl)-5,9,9-trimethylfluorene;2-(9,9-diphenylfluoren-4-yl)-5,9,9-trimethylfluorene;4-(2-methylphenyl)-1,9-diphenylcarbazole?
The IUPAC name of 2-(9,9-dimethylfluoren-1-yl)-5,9,9-trimethylfluorene;2-(9,9-diphenylfluoren-4-yl)-5,9,9-trimethylfluorene;4-(2-methylphenyl)-1,9-diphenylcarbazole (CID 162160735) is 2-(9,9-dimethylfluoren-1-yl)-5,9,9-trimethylfluorene;2-(9,9-diphenylfluoren-4-yl)-5,9,9-trimethylfluorene;4-(2-methylphenyl)-1,9-diphenylcarbazole.
What is the SMILES notation for 2-(9,9-dimethylfluoren-1-yl)-5,9,9-trimethylfluorene;2-(9,9-diphenylfluoren-4-yl)-5,9,9-trimethylfluorene;4-(2-methylphenyl)-1,9-diphenylcarbazole?
The canonical SMILES for 2-(9,9-dimethylfluoren-1-yl)-5,9,9-trimethylfluorene;2-(9,9-diphenylfluoren-4-yl)-5,9,9-trimethylfluorene;4-(2-methylphenyl)-1,9-diphenylcarbazole is Cc1cccc2c1-c1ccc(-c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc1C2(C)C.Cc1cccc2c1-c1ccc(-c3cccc4c3C(C)(C)c3ccccc3-4)cc1C2(C)C.Cc1ccccc1-c1ccc(-c2ccccc2)c2c1c1ccccc1n2-c1ccccc1.
What is the InChIKey of 2-(9,9-dimethylfluoren-1-yl)-5,9,9-trimethylfluorene;2-(9,9-diphenylfluoren-4-yl)-5,9,9-trimethylfluorene;4-(2-methylphenyl)-1,9-diphenylcarbazole?
The InChIKey is ZMLDEDNUFPDPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H32.C31H23N.C31H28/c1-27-14-12-22-35-38(27)33-25-24-28(26-37(33)40(35,2)3)31-20-13-23-36-39(31)32-19-10-11-21-34(32)41(36,29-15-6-4-7-16-29)30-17-8-5-9-18-30;1-22-12-8-9-17-25(22)27-21-20-26(23-13-4-2-5-14-23)31-30(27)28-18-10-11-19-29(28)32(31)24-15-6-3-7-16-24;1-19-10-8-15-26-28(19)24-17-16-20(18-27(24)30(26,2)3)21-12-9-13-23-22-11-6-7-14-25(22)31(4,5)29(21)23/h4-26H,1-3H3;2-21H,1H3;6-18H,1-5H3.
What are the key properties of 2-(9,9-dimethylfluoren-1-yl)-5,9,9-trimethylfluorene;2-(9,9-diphenylfluoren-4-yl)-5,9,9-trimethylfluorene;4-(2-methylphenyl)-1,9-diphenylcarbazole?
2-(9,9-dimethylfluoren-1-yl)-5,9,9-trimethylfluorene;2-(9,9-diphenylfluoren-4-yl)-5,9,9-trimethylfluorene;4-(2-methylphenyl)-1,9-diphenylcarbazole has a molecular weight of 1334.80 g/mol, XLogP of 27.03, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,9-dimethylfluoren-1-yl)-5,9,9-trimethylfluorene;2-(9,9-diphenylfluoren-4-yl)-5,9,9-trimethylfluorene;4-(2-methylphenyl)-1,9-diphenylcarbazole is sourced from PubChem (CID 162160735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).