9-[4-[9,9-dimethyl-7-(3-naphthalen-2-yl-3-phenylpropyl)fluoren-4-yl]phenyl]carbazole

C52H41N — CID 166895590

IUPAC9-[4-[9,9-dimethyl-7-(3-naphthalen-2-yl-3-phenylpropyl)fluoren-4-yl]phenyl]carbazole
SMILESCC1(C)c2cc(CCC(c3ccccc3)c3ccc4ccccc4c3)ccc2-c2c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cccc21
InChIInChI=1S/C52H41N/c1-52(2)47-20-12-19-43(38-27-29-41(30-28-38)53-49-21-10-8-17-44(49)45-18-9-11-22-50(45)53)51(47)46-32-24-35(33-48(46)52)23-31-42(37-14-4-3-5-15-37)40-26-25-36-13-6-7-16-39(36)34-40/h3-22,24-30,32-34,42H,23,31H2,1-2H3
InChIKeyOTUCXZVRIRLVTG-UHFFFAOYSA-N
MW679.91 g/mol
LogP13.67
Rot. Bonds7

About 9-[4-[9,9-dimethyl-7-(3-naphthalen-2-yl-3-phenylpropyl)fluoren-4-yl]phenyl]carbazole

9-[4-[9,9-dimethyl-7-(3-naphthalen-2-yl-3-phenylpropyl)fluoren-4-yl]phenyl]carbazole (PubChem CID 166895590) has the molecular formula C52H41N and a molecular weight of 679.91 g/mol. Its IUPAC name is 9-[4-[9,9-dimethyl-7-(3-naphthalen-2-yl-3-phenylpropyl)fluoren-4-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-[4-[9,9-dimethyl-7-(3-naphthalen-2-yl-3-phenylpropyl)fluoren-4-yl]phenyl]carbazole
PubChem CID166895590
Molecular FormulaC52H41N
Molecular Weight679.91 g/mol
Exact Mass679.32
IUPAC Name9-[4-[9,9-dimethyl-7-(3-naphthalen-2-yl-3-phenylpropyl)fluoren-4-yl]phenyl]carbazole
SMILESCC1(C)c2cc(CCC(c3ccccc3)c3ccc4ccccc4c3)ccc2-c2c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cccc21
InChIInChI=1S/C52H41N/c1-52(2)47-20-12-19-43(38-27-29-41(30-28-38)53-49-21-10-8-17-44(49)45-18-9-11-22-50(45)53)51(47)46-32-24-35(33-48(46)52)23-31-42(37-14-4-3-5-15-37)40-26-25-36-13-6-7-16-39(36)34-40/h3-22,24-30,32-34,42H,23,31H2,1-2H3
InChIKeyOTUCXZVRIRLVTG-UHFFFAOYSA-N
XLogP13.67
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500679.91
LogP ≤ 513.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-naphthalen-2-yl-8-[3-(3-phenylphenyl)-3-(4-phenylphenyl)propyl]benzo[b]carbazole
CID 155034963
11-[4-(9,9-dimethylfluoren-4-yl)phenyl]-5-phenylindolo[3,2-b]carbazole
CID 118487938
20-[4-(9,9-dimethylfluoren-4-yl)phenyl]-20-azapentacyclo[19.4.0.02,7.08,13.014,19]pentacosa-1(25),2,4,6,8,10,12,14,16,18,21,23-dodecaene
CID 134580551
11-[7-(3,3-diphenylpropyl)-9,9-dimethylfluoren-4-yl]-2,3-dihydrobenzo[a]carbazole
CID 166895465
3-[9-[9,9-dimethyl-5-(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]carbazol-3-yl]-9-[4-(4-phenylphenyl)phenyl]carbazole
CID 177077225
9-[4-[4-[6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidin-4-yl]naphthalen-1-yl]phenyl]carbazole
CID 176793487
3-(4-dibenzofuran-4-ylphenyl)-1-[4-[4-[3-(9,9-dimethylfluoren-4-yl)-1-(3-phenylphenyl)propyl]phenyl]phenyl]quinazoline-2,4-dione
CID 156568592
3-[9-[9,9-dimethyl-5-(2,3,4,5,6-pentadeuteriophenyl)fluoren-2-yl]carbazol-3-yl]-9-naphthalen-1-ylcarbazole
CID 177077443
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-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole;9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylcarbazol-3-yl]-6-naphthalen-2-ylcarbazole
CID 162081661
9-[3-[(9,9-dimethyl-5-phenylfluoren-3-yl)-naphthalen-1-ylmethyl]phenyl]carbazole
CID 169039729
9-phenyl-3-[1-(2-phenylphenyl)-3-spiro[benzo[a]fluorene-11,9'-xanthene]-9-ylpropyl]carbazole
CID 166877562

Frequently Asked Questions

What is the IUPAC name of 9-[4-[9,9-dimethyl-7-(3-naphthalen-2-yl-3-phenylpropyl)fluoren-4-yl]phenyl]carbazole?
The IUPAC name of 9-[4-[9,9-dimethyl-7-(3-naphthalen-2-yl-3-phenylpropyl)fluoren-4-yl]phenyl]carbazole (CID 166895590) is 9-[4-[9,9-dimethyl-7-(3-naphthalen-2-yl-3-phenylpropyl)fluoren-4-yl]phenyl]carbazole.
What is the SMILES notation for 9-[4-[9,9-dimethyl-7-(3-naphthalen-2-yl-3-phenylpropyl)fluoren-4-yl]phenyl]carbazole?
The canonical SMILES for 9-[4-[9,9-dimethyl-7-(3-naphthalen-2-yl-3-phenylpropyl)fluoren-4-yl]phenyl]carbazole is CC1(C)c2cc(CCC(c3ccccc3)c3ccc4ccccc4c3)ccc2-c2c(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cccc21.
What is the InChIKey of 9-[4-[9,9-dimethyl-7-(3-naphthalen-2-yl-3-phenylpropyl)fluoren-4-yl]phenyl]carbazole?
The InChIKey is OTUCXZVRIRLVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H41N/c1-52(2)47-20-12-19-43(38-27-29-41(30-28-38)53-49-21-10-8-17-44(49)45-18-9-11-22-50(45)53)51(47)46-32-24-35(33-48(46)52)23-31-42(37-14-4-3-5-15-37)40-26-25-36-13-6-7-16-39(36)34-40/h3-22,24-30,32-34,42H,23,31H2,1-2H3.
What are the key properties of 9-[4-[9,9-dimethyl-7-(3-naphthalen-2-yl-3-phenylpropyl)fluoren-4-yl]phenyl]carbazole?
9-[4-[9,9-dimethyl-7-(3-naphthalen-2-yl-3-phenylpropyl)fluoren-4-yl]phenyl]carbazole has a molecular weight of 679.91 g/mol, XLogP of 13.67, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[9,9-dimethyl-7-(3-naphthalen-2-yl-3-phenylpropyl)fluoren-4-yl]phenyl]carbazole is sourced from PubChem (CID 166895590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).