11-[7-(3,3-diphenylpropyl)-9,9-dimethylfluoren-4-yl]-2,3-dihydrobenzo[a]carbazole

C46H39N — CID 166895465

IUPAC11-[7-(3,3-diphenylpropyl)-9,9-dimethylfluoren-4-yl]-2,3-dihydrobenzo[a]carbazole
SMILESCC1(C)c2cc(CCC(c3ccccc3)c3ccccc3)ccc2-c2c(-n3c4ccccc4c4ccc5c(c43)=CCCC=5)cccc21
InChIInChI=1S/C46H39N/c1-46(2)40-21-13-23-43(47-42-22-12-11-20-37(42)38-29-26-34-18-9-10-19-36(34)45(38)47)44(40)39-28-25-31(30-41(39)46)24-27-35(32-14-5-3-6-15-32)33-16-7-4-8-17-33/h3-8,11-23,25-26,28-30,35H,9-10,24,27H2,1-2H3
InChIKeyPPYVWYOVCHSWCT-UHFFFAOYSA-N
MW605.83 g/mol
LogP10.21
Rot. Bonds6

About 11-[7-(3,3-diphenylpropyl)-9,9-dimethylfluoren-4-yl]-2,3-dihydrobenzo[a]carbazole

11-[7-(3,3-diphenylpropyl)-9,9-dimethylfluoren-4-yl]-2,3-dihydrobenzo[a]carbazole (PubChem CID 166895465) has the molecular formula C46H39N and a molecular weight of 605.83 g/mol. Its IUPAC name is 11-[7-(3,3-diphenylpropyl)-9,9-dimethylfluoren-4-yl]-2,3-dihydrobenzo[a]carbazole.

Molecular Properties

Compound Name11-[7-(3,3-diphenylpropyl)-9,9-dimethylfluoren-4-yl]-2,3-dihydrobenzo[a]carbazole
PubChem CID166895465
Molecular FormulaC46H39N
Molecular Weight605.83 g/mol
Exact Mass605.31
IUPAC Name11-[7-(3,3-diphenylpropyl)-9,9-dimethylfluoren-4-yl]-2,3-dihydrobenzo[a]carbazole
SMILESCC1(C)c2cc(CCC(c3ccccc3)c3ccccc3)ccc2-c2c(-n3c4ccccc4c4ccc5c(c43)=CCCC=5)cccc21
InChIInChI=1S/C46H39N/c1-46(2)40-21-13-23-43(47-42-22-12-11-20-37(42)38-29-26-34-18-9-10-19-36(34)45(38)47)44(40)39-28-25-31(30-41(39)46)24-27-35(32-14-5-3-6-15-32)33-16-7-4-8-17-33/h3-8,11-23,25-26,28-30,35H,9-10,24,27H2,1-2H3
InChIKeyPPYVWYOVCHSWCT-UHFFFAOYSA-N
XLogP10.21
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.83
LogP ≤ 510.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9-[4-[9,9-dimethyl-7-(3-naphthalen-2-yl-3-phenylpropyl)fluoren-4-yl]phenyl]carbazole
CID 166895590
3-(9,9-dimethylfluoren-4-yl)-22-phenyl-3,22-diazahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene
CID 122465550
9-[7-[[4-(9,9-dimethylfluoren-2-yl)phenyl]-phenylmethyl]-9,9-dimethylfluoren-4-yl]carbazole
CID 166895501
5-(9,9-dimethylfluoren-2-yl)-12-(9,9-dimethylfluoren-4-yl)indolo[3,2-c]carbazole
CID 122595548
13-[4-[4-[1,3-bis(4-phenylphenyl)propyl]phenyl]phenyl]-13-phenyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 139341014
15,15-dimethyl-11,19-bis(9,9'-spirobi[fluorene]-4-yl)-11,19-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.020,25]heptacosa-1(16),2(14),3,5,7,9,12,17,20,22,24,26-dodecaene
CID 170015359
3-(9,9-dimethylfluoren-2-yl)-9-(9,9'-spirobi[fluorene]-4-yl)carbazole
CID 170015355
3-[9-(9,9-dimethylfluoren-4-yl)carbazol-3-yl]-9-(2-phenylphenyl)carbazole
CID 146664841
13,13-dimethyl-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene
CID 12555402
9-[7-[(Z)-2-(9,9-dimethylfluoren-2-yl)-3-phenylprop-2-enyl]-9,9-diphenylfluoren-4-yl]carbazole
CID 166895492
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
9-[9-(5-methylcyclohexa-1,3-dien-1-yl)-9-phenyl-7-[2-phenyl-2-[4-(4-phenylphenyl)phenyl]ethyl]fluoren-4-yl]carbazole
CID 145302856

Frequently Asked Questions

What is the IUPAC name of 11-[7-(3,3-diphenylpropyl)-9,9-dimethylfluoren-4-yl]-2,3-dihydrobenzo[a]carbazole?
The IUPAC name of 11-[7-(3,3-diphenylpropyl)-9,9-dimethylfluoren-4-yl]-2,3-dihydrobenzo[a]carbazole (CID 166895465) is 11-[7-(3,3-diphenylpropyl)-9,9-dimethylfluoren-4-yl]-2,3-dihydrobenzo[a]carbazole.
What is the SMILES notation for 11-[7-(3,3-diphenylpropyl)-9,9-dimethylfluoren-4-yl]-2,3-dihydrobenzo[a]carbazole?
The canonical SMILES for 11-[7-(3,3-diphenylpropyl)-9,9-dimethylfluoren-4-yl]-2,3-dihydrobenzo[a]carbazole is CC1(C)c2cc(CCC(c3ccccc3)c3ccccc3)ccc2-c2c(-n3c4ccccc4c4ccc5c(c43)=CCCC=5)cccc21.
What is the InChIKey of 11-[7-(3,3-diphenylpropyl)-9,9-dimethylfluoren-4-yl]-2,3-dihydrobenzo[a]carbazole?
The InChIKey is PPYVWYOVCHSWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H39N/c1-46(2)40-21-13-23-43(47-42-22-12-11-20-37(42)38-29-26-34-18-9-10-19-36(34)45(38)47)44(40)39-28-25-31(30-41(39)46)24-27-35(32-14-5-3-6-15-32)33-16-7-4-8-17-33/h3-8,11-23,25-26,28-30,35H,9-10,24,27H2,1-2H3.
What are the key properties of 11-[7-(3,3-diphenylpropyl)-9,9-dimethylfluoren-4-yl]-2,3-dihydrobenzo[a]carbazole?
11-[7-(3,3-diphenylpropyl)-9,9-dimethylfluoren-4-yl]-2,3-dihydrobenzo[a]carbazole has a molecular weight of 605.83 g/mol, XLogP of 10.21, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[7-(3,3-diphenylpropyl)-9,9-dimethylfluoren-4-yl]-2,3-dihydrobenzo[a]carbazole is sourced from PubChem (CID 166895465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).