18-[4-[8-methyl-9-(3-naphthalen-2-yl-5-phenylphenyl)-7,8-dihydrocarbazol-3-yl]phenyl]-10-phenyl-14-azapentacyclo[19.3.1.02,7.08,13.015,20]pentacosa-1(24),3,5,8(13),9,11,15(20),16,18,21(25),22-undecaene

C71H52N2 — CID 121355649

IUPAC18-[4-[8-methyl-9-(3-naphthalen-2-yl-5-phenylphenyl)-7,8-dihydrocarbazol-3-yl]phenyl]-10-phenyl-14-azapentacyclo[19.3.1.02,7.08,13.015,20]pentacosa-1(24),3,5,8(13),9,11,15(20),16,18,21(25),22-undecaene
SMILESCC1CC=Cc2c1n(-c1cc(-c3ccccc3)cc(-c3ccc4ccccc4c3)c1)c1ccc(-c3ccc(-c4ccc5c(c4)-c4cccc(c4)C4C=CC=CC4c4cc(-c6ccccc6)ccc4N5)cc3)cc21
InChIInChI=1S/C71H52N2/c1-46-14-12-25-64-67-45-56(34-37-70(67)73(71(46)64)61-41-59(48-17-6-3-7-18-48)40-60(42-61)53-31-30-49-19-8-9-20-52(49)38-53)51-28-26-50(27-29-51)54-32-35-68-65(43-54)58-22-13-21-57(39-58)62-23-10-11-24-63(62)66-44-55(33-36-69(66)72-68)47-15-4-2-5-16-47/h2-13,15-46,62-63,72H,14H2,1H3
InChIKeyGJADJGRXUNIZER-UHFFFAOYSA-N
MW933.21 g/mol
LogP19.36
Rot. Bonds6

About 18-[4-[8-methyl-9-(3-naphthalen-2-yl-5-phenylphenyl)-7,8-dihydrocarbazol-3-yl]phenyl]-10-phenyl-14-azapentacyclo[19.3.1.02,7.08,13.015,20]pentacosa-1(24),3,5,8(13),9,11,15(20),16,18,21(25),22-undecaene

18-[4-[8-methyl-9-(3-naphthalen-2-yl-5-phenylphenyl)-7,8-dihydrocarbazol-3-yl]phenyl]-10-phenyl-14-azapentacyclo[19.3.1.02,7.08,13.015,20]pentacosa-1(24),3,5,8(13),9,11,15(20),16,18,21(25),22-undecaene (PubChem CID 121355649) has the molecular formula C71H52N2 and a molecular weight of 933.21 g/mol. Its IUPAC name is 18-[4-[8-methyl-9-(3-naphthalen-2-yl-5-phenylphenyl)-7,8-dihydrocarbazol-3-yl]phenyl]-10-phenyl-14-azapentacyclo[19.3.1.02,7.08,13.015,20]pentacosa-1(24),3,5,8(13),9,11,15(20),16,18,21(25),22-undecaene.

Molecular Properties

Compound Name18-[4-[8-methyl-9-(3-naphthalen-2-yl-5-phenylphenyl)-7,8-dihydrocarbazol-3-yl]phenyl]-10-phenyl-14-azapentacyclo[19.3.1.02,7.08,13.015,20]pentacosa-1(24),3,5,8(13),9,11,15(20),16,18,21(25),22-undecaene
PubChem CID121355649
Molecular FormulaC71H52N2
Molecular Weight933.21 g/mol
Exact Mass932.41
IUPAC Name18-[4-[8-methyl-9-(3-naphthalen-2-yl-5-phenylphenyl)-7,8-dihydrocarbazol-3-yl]phenyl]-10-phenyl-14-azapentacyclo[19.3.1.02,7.08,13.015,20]pentacosa-1(24),3,5,8(13),9,11,15(20),16,18,21(25),22-undecaene
SMILESCC1CC=Cc2c1n(-c1cc(-c3ccccc3)cc(-c3ccc4ccccc4c3)c1)c1ccc(-c3ccc(-c4ccc5c(c4)-c4cccc(c4)C4C=CC=CC4c4cc(-c6ccccc6)ccc4N5)cc3)cc21
InChIInChI=1S/C71H52N2/c1-46-14-12-25-64-67-45-56(34-37-70(67)73(71(46)64)61-41-59(48-17-6-3-7-18-48)40-60(42-61)53-31-30-49-19-8-9-20-52(49)38-53)51-28-26-50(27-29-51)54-32-35-68-65(43-54)58-22-13-21-57(39-58)62-23-10-11-24-63(62)66-44-55(33-36-69(66)72-68)47-15-4-2-5-16-47/h2-13,15-46,62-63,72H,14H2,1H3
InChIKeyGJADJGRXUNIZER-UHFFFAOYSA-N
XLogP19.36
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500933.21
LogP ≤ 519.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 18-[4-[8-methyl-9-(3-naphthalen-2-yl-5-phenylphenyl)-7,8-dihydrocarbazol-3-yl]phenyl]-10-phenyl-14-azapentacyclo[19.3.1.02,7.08,13.015,20]pentacosa-1(24),3,5,8(13),9,11,15(20),16,18,21(25),22-undecaene with MolForge

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Related Compounds

15-[9-(3,5-diphenylphenyl)-8-methyl-7,8-dihydrocarbazol-3-yl]-10-(3-methylcyclohexa-1,5-dien-1-yl)-10-azapentacyclo[11.8.0.03,11.04,9.016,21]henicosa-1,3(11),4,6,8,12,14,16,18,20-decaene
CID 163836477
6-(9H-carbazol-3-yl)-1-methyl-9-(3-phenylphenyl)-1,2-dihydrocarbazole
CID 166670155
12-[3-(10-methyl-5-phenyl-4a,9,10,12b-tetrahydroindolo[3,2-b]carbazol-11-yl)-5-phenylphenyl]-11-phenylindolo[2,3-a]carbazole
CID 170206685
3-[3-[2-[9-(3,5-dinaphthalen-2-ylphenyl)carbazol-3-yl]phenyl]phenyl]-9-phenylcarbazole
CID 126764159
11-[2-(2-fluoranthen-8-ylphenyl)phenyl]-8-(8-methyl-9-phenyl-7,8-dihydrocarbazol-3-yl)benzo[a]carbazole
CID 134535308
N-[4-[2-[9-(3-naphthalen-2-yl-5-phenylphenyl)carbazol-3-yl]phenyl]phenyl]-N,3-diphenylaniline
CID 118087598
3-[9-(3,5-diphenylphenyl)-9H-fluoren-3-yl]-9-naphthalen-2-yl-9H-fluorene;3-(9-naphthalen-2-yl-9H-fluoren-3-yl)-9-(3-phenylphenyl)carbazole
CID 161333378
22-(5-methyl-5,6-dihydrophenanthren-9-yl)-8-(4-phenylphenyl)-8,22-diazapentacyclo[13.7.0.02,7.09,14.016,21]docosa-1(15),3,5,9,11,13,16,18,20-nonaene
CID 129301367
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-[3-(2-phenylphenyl)phenyl]carbazole;3-(9-naphthalen-2-ylcarbazol-3-yl)-9-[4-(3-phenylphenyl)phenyl]carbazole
CID 165109371
3-[9-[3-[3-[3-[3-[9-[3-(3,5-diphenylphenyl)cyclohexa-1,5-dien-1-yl]-6-phenylcarbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]carbazol-3-yl]-9-[3-(3,5-diphenylphenyl)phenyl]-6-phenylcarbazole
CID 129298687
3-[4-[2-[9-(2-naphthalen-2-ylphenyl)carbazol-3-yl]phenyl]phenyl]-9-phenylcarbazole;3-[4-[3-[9-(3-naphthalen-2-ylphenyl)carbazol-3-yl]phenyl]phenyl]-9-phenylcarbazole;3-[4-[4-[9-(4-naphthalen-2-ylphenyl)carbazol-3-yl]phenyl]phenyl]-9-phenylcarbazole
CID 162107849
11-(3,5-diphenylphenyl)-5-(4-naphthalen-2-ylphenyl)indolo[3,2-b]carbazole
CID 118318933

Frequently Asked Questions

What is the IUPAC name of 18-[4-[8-methyl-9-(3-naphthalen-2-yl-5-phenylphenyl)-7,8-dihydrocarbazol-3-yl]phenyl]-10-phenyl-14-azapentacyclo[19.3.1.02,7.08,13.015,20]pentacosa-1(24),3,5,8(13),9,11,15(20),16,18,21(25),22-undecaene?
The IUPAC name of 18-[4-[8-methyl-9-(3-naphthalen-2-yl-5-phenylphenyl)-7,8-dihydrocarbazol-3-yl]phenyl]-10-phenyl-14-azapentacyclo[19.3.1.02,7.08,13.015,20]pentacosa-1(24),3,5,8(13),9,11,15(20),16,18,21(25),22-undecaene (CID 121355649) is 18-[4-[8-methyl-9-(3-naphthalen-2-yl-5-phenylphenyl)-7,8-dihydrocarbazol-3-yl]phenyl]-10-phenyl-14-azapentacyclo[19.3.1.02,7.08,13.015,20]pentacosa-1(24),3,5,8(13),9,11,15(20),16,18,21(25),22-undecaene.
What is the SMILES notation for 18-[4-[8-methyl-9-(3-naphthalen-2-yl-5-phenylphenyl)-7,8-dihydrocarbazol-3-yl]phenyl]-10-phenyl-14-azapentacyclo[19.3.1.02,7.08,13.015,20]pentacosa-1(24),3,5,8(13),9,11,15(20),16,18,21(25),22-undecaene?
The canonical SMILES for 18-[4-[8-methyl-9-(3-naphthalen-2-yl-5-phenylphenyl)-7,8-dihydrocarbazol-3-yl]phenyl]-10-phenyl-14-azapentacyclo[19.3.1.02,7.08,13.015,20]pentacosa-1(24),3,5,8(13),9,11,15(20),16,18,21(25),22-undecaene is CC1CC=Cc2c1n(-c1cc(-c3ccccc3)cc(-c3ccc4ccccc4c3)c1)c1ccc(-c3ccc(-c4ccc5c(c4)-c4cccc(c4)C4C=CC=CC4c4cc(-c6ccccc6)ccc4N5)cc3)cc21.
What is the InChIKey of 18-[4-[8-methyl-9-(3-naphthalen-2-yl-5-phenylphenyl)-7,8-dihydrocarbazol-3-yl]phenyl]-10-phenyl-14-azapentacyclo[19.3.1.02,7.08,13.015,20]pentacosa-1(24),3,5,8(13),9,11,15(20),16,18,21(25),22-undecaene?
The InChIKey is GJADJGRXUNIZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H52N2/c1-46-14-12-25-64-67-45-56(34-37-70(67)73(71(46)64)61-41-59(48-17-6-3-7-18-48)40-60(42-61)53-31-30-49-19-8-9-20-52(49)38-53)51-28-26-50(27-29-51)54-32-35-68-65(43-54)58-22-13-21-57(39-58)62-23-10-11-24-63(62)66-44-55(33-36-69(66)72-68)47-15-4-2-5-16-47/h2-13,15-46,62-63,72H,14H2,1H3.
What are the key properties of 18-[4-[8-methyl-9-(3-naphthalen-2-yl-5-phenylphenyl)-7,8-dihydrocarbazol-3-yl]phenyl]-10-phenyl-14-azapentacyclo[19.3.1.02,7.08,13.015,20]pentacosa-1(24),3,5,8(13),9,11,15(20),16,18,21(25),22-undecaene?
18-[4-[8-methyl-9-(3-naphthalen-2-yl-5-phenylphenyl)-7,8-dihydrocarbazol-3-yl]phenyl]-10-phenyl-14-azapentacyclo[19.3.1.02,7.08,13.015,20]pentacosa-1(24),3,5,8(13),9,11,15(20),16,18,21(25),22-undecaene has a molecular weight of 933.21 g/mol, XLogP of 19.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 18-[4-[8-methyl-9-(3-naphthalen-2-yl-5-phenylphenyl)-7,8-dihydrocarbazol-3-yl]phenyl]-10-phenyl-14-azapentacyclo[19.3.1.02,7.08,13.015,20]pentacosa-1(24),3,5,8(13),9,11,15(20),16,18,21(25),22-undecaene is sourced from PubChem (CID 121355649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).