9-(14-pentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11(19),12,14,16-nonaenyl)carbazole

C31H19N — CID 157419390

IUPAC9-(14-pentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11(19),12,14,16-nonaenyl)carbazole
SMILESc1ccc2c(c1)CC1=C2c2cccc3c(-n4c5ccccc5c5ccccc54)ccc1c23
InChIInChI=1S/C31H19N/c1-2-9-20-19(8-1)18-26-23-16-17-29(24-12-7-13-25(30(20)26)31(23)24)32-27-14-5-3-10-21(27)22-11-4-6-15-28(22)32/h1-17H,18H2
InChIKeyGMMMYBQDQSNHBE-UHFFFAOYSA-N
MW405.50 g/mol
LogP7.77
Rot. Bonds1

About 9-(14-pentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11(19),12,14,16-nonaenyl)carbazole

9-(14-pentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11(19),12,14,16-nonaenyl)carbazole (PubChem CID 157419390) has the molecular formula C31H19N and a molecular weight of 405.50 g/mol. Its IUPAC name is 9-(14-pentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11(19),12,14,16-nonaenyl)carbazole.

Molecular Properties

Compound Name9-(14-pentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11(19),12,14,16-nonaenyl)carbazole
PubChem CID157419390
Molecular FormulaC31H19N
Molecular Weight405.50 g/mol
Exact Mass405.15
IUPAC Name9-(14-pentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11(19),12,14,16-nonaenyl)carbazole
SMILESc1ccc2c(c1)CC1=C2c2cccc3c(-n4c5ccccc5c5ccccc54)ccc1c23
InChIInChI=1S/C31H19N/c1-2-9-20-19(8-1)18-26-23-16-17-29(24-12-7-13-25(30(20)26)31(23)24)32-27-14-5-3-10-21(27)22-11-4-6-15-28(22)32/h1-17H,18H2
InChIKeyGMMMYBQDQSNHBE-UHFFFAOYSA-N
XLogP7.77
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.50
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2,3-di(carbazol-9-yl)-9-fluoranthen-3-ylcarbazole
CID 121475489
4-carbazol-9-yl-11,14-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene-12,13-dicarbonitrile
CID 145413747
6-fluoranthen-3-yl-6-azaheptacyclo[15.12.0.02,14.05,13.07,12.018,23.024,29]nonacosa-1(17),2(14),3,5(13),7,9,11,15,18,20,22,24,26,28-tetradecaene
CID 154597967
9-(4-carbazol-9-ylnaphthalen-1-yl)carbazole
CID 154791880
9,14-bis(9H-fluoren-1-yl)-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 130432276
3-(9-fluoranthen-3-ylcarbazol-3-yl)-9-phenylcarbazole
CID 71291323
4,12-di(carbazol-9-yl)-11,13-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-1(16),2,4,6,8,10,12,14-octaene
CID 122466267
6,24-di(fluoranthen-3-yl)-15-thia-6,24-diazaheptacyclo[14.11.0.02,14.05,13.07,12.017,25.018,23]heptacosa-1(16),2(14),3,5(13),7,9,11,17(25),18,20,22,26-dodecaene
CID 138736477
9-[2-(9H-fluoren-3-yl)phenyl]carbazole
CID 157409452
22-fluoranthen-3-yl-22-azahexacyclo[12.11.0.02,11.03,8.015,23.016,21]pentacosa-1(14),2(11),3,7,9,12,15(23),16,18,20,24-undecaene
CID 154986217
22-fluoranthen-3-yl-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene
CID 135212714
11-(4-fluoranthen-3-ylnaphthalen-1-yl)-11-azahexacyclo[13.7.1.02,14.04,12.05,10.019,23]tricosa-1(22),2(14),3,5,7,9,12,15,17,19(23),20-undecaene
CID 118580861

Frequently Asked Questions

What is the IUPAC name of 9-(14-pentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11(19),12,14,16-nonaenyl)carbazole?
The IUPAC name of 9-(14-pentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11(19),12,14,16-nonaenyl)carbazole (CID 157419390) is 9-(14-pentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11(19),12,14,16-nonaenyl)carbazole.
What is the SMILES notation for 9-(14-pentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11(19),12,14,16-nonaenyl)carbazole?
The canonical SMILES for 9-(14-pentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11(19),12,14,16-nonaenyl)carbazole is c1ccc2c(c1)CC1=C2c2cccc3c(-n4c5ccccc5c5ccccc54)ccc1c23.
What is the InChIKey of 9-(14-pentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11(19),12,14,16-nonaenyl)carbazole?
The InChIKey is GMMMYBQDQSNHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19N/c1-2-9-20-19(8-1)18-26-23-16-17-29(24-12-7-13-25(30(20)26)31(23)24)32-27-14-5-3-10-21(27)22-11-4-6-15-28(22)32/h1-17H,18H2.
What are the key properties of 9-(14-pentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11(19),12,14,16-nonaenyl)carbazole?
9-(14-pentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11(19),12,14,16-nonaenyl)carbazole has a molecular weight of 405.50 g/mol, XLogP of 7.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(14-pentacyclo[9.7.1.02,10.03,8.015,19]nonadeca-1(18),2(10),3,5,7,11(19),12,14,16-nonaenyl)carbazole is sourced from PubChem (CID 157419390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).