9-phenyl-3-[16-[9-(2-phenylethyl)-9H-fluoren-3-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]carbazole

C57H37NO2 — CID 163609314

IUPAC9-phenyl-3-[16-[9-(2-phenylethyl)-9H-fluoren-3-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]carbazole
SMILESc1ccc(CCC2c3ccccc3-c3cc(-c4cccc5c4oc4cc6oc7c(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cccc7c6cc45)ccc32)cc1
InChIInChI=1S/C57H37NO2/c1-3-13-35(14-4-1)25-28-43-41-17-7-8-18-42(41)48-31-36(26-29-44(43)48)39-20-11-22-46-50-33-51-47-23-12-21-40(57(47)60-55(51)34-54(50)59-56(39)46)37-27-30-53-49(32-37)45-19-9-10-24-52(45)58(53)38-15-5-2-6-16-38/h1-24,26-27,29-34,43H,25,28H2
InChIKeyHENJVFNBAXGFDS-UHFFFAOYSA-N
MW767.93 g/mol
LogP15.66
Rot. Bonds6

About 9-phenyl-3-[16-[9-(2-phenylethyl)-9H-fluoren-3-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]carbazole

9-phenyl-3-[16-[9-(2-phenylethyl)-9H-fluoren-3-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]carbazole (PubChem CID 163609314) has the molecular formula C57H37NO2 and a molecular weight of 767.93 g/mol. Its IUPAC name is 9-phenyl-3-[16-[9-(2-phenylethyl)-9H-fluoren-3-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]carbazole.

Molecular Properties

Compound Name9-phenyl-3-[16-[9-(2-phenylethyl)-9H-fluoren-3-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]carbazole
PubChem CID163609314
Molecular FormulaC57H37NO2
Molecular Weight767.93 g/mol
Exact Mass767.28
IUPAC Name9-phenyl-3-[16-[9-(2-phenylethyl)-9H-fluoren-3-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]carbazole
SMILESc1ccc(CCC2c3ccccc3-c3cc(-c4cccc5c4oc4cc6oc7c(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cccc7c6cc45)ccc32)cc1
InChIInChI=1S/C57H37NO2/c1-3-13-35(14-4-1)25-28-43-41-17-7-8-18-42(41)48-31-36(26-29-44(43)48)39-20-11-22-46-50-33-51-47-23-12-21-40(57(47)60-55(51)34-54(50)59-56(39)46)37-27-30-53-49(32-37)45-19-9-10-24-52(45)58(53)38-15-5-2-6-16-38/h1-24,26-27,29-34,43H,25,28H2
InChIKeyHENJVFNBAXGFDS-UHFFFAOYSA-N
XLogP15.66
TPSA31.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500767.93
LogP ≤ 515.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9-phenyl-3-[16-[9-(2-phenylethyl)-9H-fluoren-3-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]carbazole with MolForge

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Related Compounds

8-dibenzothiophen-1-yl-3-[9-phenyl-6-[9-(2-phenylethyl)-9H-fluoren-3-yl]carbazol-3-yl]benzo[c]chromen-6-one
CID 145049967
3-dibenzofuran-4-yl-9-[3-(3-dibenzofuran-4-ylcarbazol-9-yl)phenyl]carbazole
CID 71004884
3-[6-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2,4,6,8,10,12,14,16(24),17(22),18,20-dodecaen-20-yl)dibenzofuran-2-yl]-9-phenylcarbazole
CID 154600099
3-dibenzofuran-4-yl-9-(9-phenylcarbazol-3-yl)carbazole
CID 170132775
2-dibenzofuran-4-yl-5,7-diphenylindolo[2,3-b]carbazole;5-(4-dibenzofuran-4-ylphenyl)-7-phenylindolo[2,3-b]carbazole;5,7-diphenyl-2-(9-phenylcarbazol-3-yl)indolo[2,3-b]carbazole
CID 160885475
9-(4-phenylphenyl)-3-[9-[2-(3-phenylphenyl)ethyl]-9H-fluoren-4-yl]carbazole
CID 142356508
7-(3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaen-7-yl)-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4(9),5,7,11,14,16,18-nonaene;9-phenyl-3-[5-(9-phenylcarbazol-3-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]carbazole;9-phenyl-3-[7-(9-phenylcarbazol-3-yl)-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3(8),4,6,11,14(19),15,17-nonaen-16-yl]carbazole;9-phenyl-3-[16-(9-phenylcarbazol-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1,3(11),4(9),5,7,12,15(20),16,18-nonaen-6-yl]carbazole;9-phenyl-3-[18-(9-phenylcarbazol-3-yl)-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-6-yl]carbazole
CID 159712006
3-dibenzofuran-4-yl-9-(3-dibenzofuran-4-ylphenyl)-6-(9-phenylcarbazol-3-yl)carbazole
CID 121449361
3-[8-[9-(4-dibenzofuran-4-ylphenyl)carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 137474197
9-phenyl-3-[3-(6-phenyldibenzofuran-2-yl)-5-(4-phenylphenyl)phenyl]carbazole
CID 122492344
3-[9-[6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl]-9H-fluoren-3-yl]-9-phenylcarbazole
CID 144782080
N-(4-dibenzofuran-4-ylphenyl)-4-[4-[N-(4-dibenzofuran-4-ylphenyl)-4-(9-phenylcarbazol-3-yl)anilino]phenyl]-N-[4-(9-phenyl-9H-fluoren-3-yl)phenyl]aniline
CID 58510731

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-3-[16-[9-(2-phenylethyl)-9H-fluoren-3-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]carbazole?
The IUPAC name of 9-phenyl-3-[16-[9-(2-phenylethyl)-9H-fluoren-3-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]carbazole (CID 163609314) is 9-phenyl-3-[16-[9-(2-phenylethyl)-9H-fluoren-3-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]carbazole.
What is the SMILES notation for 9-phenyl-3-[16-[9-(2-phenylethyl)-9H-fluoren-3-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]carbazole?
The canonical SMILES for 9-phenyl-3-[16-[9-(2-phenylethyl)-9H-fluoren-3-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]carbazole is c1ccc(CCC2c3ccccc3-c3cc(-c4cccc5c4oc4cc6oc7c(-c8ccc9c(c8)c8ccccc8n9-c8ccccc8)cccc7c6cc45)ccc32)cc1.
What is the InChIKey of 9-phenyl-3-[16-[9-(2-phenylethyl)-9H-fluoren-3-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]carbazole?
The InChIKey is HENJVFNBAXGFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37NO2/c1-3-13-35(14-4-1)25-28-43-41-17-7-8-18-42(41)48-31-36(26-29-44(43)48)39-20-11-22-46-50-33-51-47-23-12-21-40(57(47)60-55(51)34-54(50)59-56(39)46)37-27-30-53-49(32-37)45-19-9-10-24-52(45)58(53)38-15-5-2-6-16-38/h1-24,26-27,29-34,43H,25,28H2.
What are the key properties of 9-phenyl-3-[16-[9-(2-phenylethyl)-9H-fluoren-3-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]carbazole?
9-phenyl-3-[16-[9-(2-phenylethyl)-9H-fluoren-3-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]carbazole has a molecular weight of 767.93 g/mol, XLogP of 15.66, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-3-[16-[9-(2-phenylethyl)-9H-fluoren-3-yl]-10,14-dioxapentacyclo[11.7.0.03,11.04,9.015,20]icosa-1(13),2,4(9),5,7,11,15(20),16,18-nonaen-8-yl]carbazole is sourced from PubChem (CID 163609314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).