3-(9-naphthalen-1-yl-20-thiahexacyclo[11.11.1.02,11.03,8.014,19.021,25]pentacosa-1,3,5,7,11,13(25),14(19),15,17,21,23-undecaen-17-yl)-9-phenylcarbazole

C52H33NS — CID 170348369

IUPAC3-(9-naphthalen-1-yl-20-thiahexacyclo[11.11.1.02,11.03,8.014,19.021,25]pentacosa-1,3,5,7,11,13(25),14(19),15,17,21,23-undecaen-17-yl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)Sc4cccc6c7c(cc-5c46)CC(c4cccc5ccccc45)c4ccccc4-7)ccc32)cc1
InChIInChI=1S/C52H33NS/c1-2-14-36(15-3-1)53-47-22-9-8-18-40(47)45-28-33(25-27-48(45)53)34-24-26-41-46-30-35-29-44(38-20-10-13-32-12-4-5-16-37(32)38)39-17-6-7-19-42(39)51(35)43-21-11-23-49(52(43)46)54-50(41)31-34/h1-28,30-31,44H,29H2
InChIKeyVFSGFVSBUHJWIL-UHFFFAOYSA-N
MW703.91 g/mol
LogP14.24
Rot. Bonds3

About 3-(9-naphthalen-1-yl-20-thiahexacyclo[11.11.1.02,11.03,8.014,19.021,25]pentacosa-1,3,5,7,11,13(25),14(19),15,17,21,23-undecaen-17-yl)-9-phenylcarbazole

3-(9-naphthalen-1-yl-20-thiahexacyclo[11.11.1.02,11.03,8.014,19.021,25]pentacosa-1,3,5,7,11,13(25),14(19),15,17,21,23-undecaen-17-yl)-9-phenylcarbazole (PubChem CID 170348369) has the molecular formula C52H33NS and a molecular weight of 703.91 g/mol. Its IUPAC name is 3-(9-naphthalen-1-yl-20-thiahexacyclo[11.11.1.02,11.03,8.014,19.021,25]pentacosa-1,3,5,7,11,13(25),14(19),15,17,21,23-undecaen-17-yl)-9-phenylcarbazole.

Molecular Properties

Compound Name3-(9-naphthalen-1-yl-20-thiahexacyclo[11.11.1.02,11.03,8.014,19.021,25]pentacosa-1,3,5,7,11,13(25),14(19),15,17,21,23-undecaen-17-yl)-9-phenylcarbazole
PubChem CID170348369
Molecular FormulaC52H33NS
Molecular Weight703.91 g/mol
Exact Mass703.23
IUPAC Name3-(9-naphthalen-1-yl-20-thiahexacyclo[11.11.1.02,11.03,8.014,19.021,25]pentacosa-1,3,5,7,11,13(25),14(19),15,17,21,23-undecaen-17-yl)-9-phenylcarbazole
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)Sc4cccc6c7c(cc-5c46)CC(c4cccc5ccccc45)c4ccccc4-7)ccc32)cc1
InChIInChI=1S/C52H33NS/c1-2-14-36(15-3-1)53-47-22-9-8-18-40(47)45-28-33(25-27-48(45)53)34-24-26-41-46-30-35-29-44(38-20-10-13-32-12-4-5-16-37(32)38)39-17-6-7-19-42(39)51(35)43-21-11-23-49(52(43)46)54-50(41)31-34/h1-28,30-31,44H,29H2
InChIKeyVFSGFVSBUHJWIL-UHFFFAOYSA-N
XLogP14.24
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.91
LogP ≤ 514.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(9-naphthalen-1-yl-20-thiahexacyclo[11.11.1.02,11.03,8.014,19.021,25]pentacosa-1,3,5,7,11,13(25),14(19),15,17,21,23-undecaen-17-yl)-9-phenylcarbazole with MolForge

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Related Compounds

9-[(9S)-9-naphthalen-2-yl-21-thiahexacyclo[12.11.1.02,12.03,8.015,20.022,26]hexacosa-1,3,5,7,12,14(26),15(20),16,18,22,24-undecaen-18-yl]-3-phenylcarbazole
CID 170348629
9-phenyl-3-[9-(3-phenylphenyl)-21-thiahexacyclo[12.11.1.02,12.03,8.015,20.022,26]hexacosa-1,3,5,7,12,14(26),15(20),16,18,22,24-undecaen-17-yl]carbazole
CID 170348414
21-phenyl-5-[9-(3-phenylphenyl)carbazol-3-yl]-8-thia-21-azahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15,17,19-undecaene
CID 167137882
9-phenyl-3-(11-phenyl-8,21-dithiapentacyclo[20.4.0.02,7.09,14.015,20]hexacosa-1(26),2,4,6,9(14),10,12,15,17,19,22,24-dodecaen-3-yl)carbazole
CID 118860605
21-naphthalen-2-yl-5-[4-(3-phenylcarbazol-9-yl)phenyl]-8-thia-21-azahexacyclo[11.10.1.02,7.09,24.014,22.015,20]tetracosa-1(23),2(7),3,5,9,11,13(24),14(22),15,17,19-undecaene
CID 170448474
21-phenyl-5-[4-(3-phenylcarbazol-9-yl)phenyl]-2-thia-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3(8),4,6,9,11,13,15,17,19,22-undecaene
CID 170448329
3-(10-dibenzofuran-1-yl-9,10-dihydrophenanthren-3-yl)-9-phenylcarbazole
CID 167289243
21-phenyl-5-[4-[3-(3-phenylphenyl)carbazol-9-yl]phenyl]-2-thia-21-azahexacyclo[11.10.1.03,8.09,24.014,22.015,20]tetracosa-1(24),3(8),4,6,9,11,13,15,17,19,22-undecaene
CID 170448360
3-naphthalen-1-yl-9-phenyl-6-[2-(9-phenylcarbazol-3-yl)phenyl]carbazole
CID 126764169
11-phenyl-2-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)benzo[a]carbazole
CID 170038500
5-naphthalen-1-yl-9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 134369788
5-phenyl-7-(8-thiatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-12-yl)benzo[b]carbazole
CID 170038575

Frequently Asked Questions

What is the IUPAC name of 3-(9-naphthalen-1-yl-20-thiahexacyclo[11.11.1.02,11.03,8.014,19.021,25]pentacosa-1,3,5,7,11,13(25),14(19),15,17,21,23-undecaen-17-yl)-9-phenylcarbazole?
The IUPAC name of 3-(9-naphthalen-1-yl-20-thiahexacyclo[11.11.1.02,11.03,8.014,19.021,25]pentacosa-1,3,5,7,11,13(25),14(19),15,17,21,23-undecaen-17-yl)-9-phenylcarbazole (CID 170348369) is 3-(9-naphthalen-1-yl-20-thiahexacyclo[11.11.1.02,11.03,8.014,19.021,25]pentacosa-1,3,5,7,11,13(25),14(19),15,17,21,23-undecaen-17-yl)-9-phenylcarbazole.
What is the SMILES notation for 3-(9-naphthalen-1-yl-20-thiahexacyclo[11.11.1.02,11.03,8.014,19.021,25]pentacosa-1,3,5,7,11,13(25),14(19),15,17,21,23-undecaen-17-yl)-9-phenylcarbazole?
The canonical SMILES for 3-(9-naphthalen-1-yl-20-thiahexacyclo[11.11.1.02,11.03,8.014,19.021,25]pentacosa-1,3,5,7,11,13(25),14(19),15,17,21,23-undecaen-17-yl)-9-phenylcarbazole is c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)Sc4cccc6c7c(cc-5c46)CC(c4cccc5ccccc45)c4ccccc4-7)ccc32)cc1.
What is the InChIKey of 3-(9-naphthalen-1-yl-20-thiahexacyclo[11.11.1.02,11.03,8.014,19.021,25]pentacosa-1,3,5,7,11,13(25),14(19),15,17,21,23-undecaen-17-yl)-9-phenylcarbazole?
The InChIKey is VFSGFVSBUHJWIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33NS/c1-2-14-36(15-3-1)53-47-22-9-8-18-40(47)45-28-33(25-27-48(45)53)34-24-26-41-46-30-35-29-44(38-20-10-13-32-12-4-5-16-37(32)38)39-17-6-7-19-42(39)51(35)43-21-11-23-49(52(43)46)54-50(41)31-34/h1-28,30-31,44H,29H2.
What are the key properties of 3-(9-naphthalen-1-yl-20-thiahexacyclo[11.11.1.02,11.03,8.014,19.021,25]pentacosa-1,3,5,7,11,13(25),14(19),15,17,21,23-undecaen-17-yl)-9-phenylcarbazole?
3-(9-naphthalen-1-yl-20-thiahexacyclo[11.11.1.02,11.03,8.014,19.021,25]pentacosa-1,3,5,7,11,13(25),14(19),15,17,21,23-undecaen-17-yl)-9-phenylcarbazole has a molecular weight of 703.91 g/mol, XLogP of 14.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(9-naphthalen-1-yl-20-thiahexacyclo[11.11.1.02,11.03,8.014,19.021,25]pentacosa-1,3,5,7,11,13(25),14(19),15,17,21,23-undecaen-17-yl)-9-phenylcarbazole is sourced from PubChem (CID 170348369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).