7-(12,12,19,22,22-pentamethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaenyl)benzo[c]carbazole

C45H35N — CID 143607853

IUPAC7-(12,12,19,22,22-pentamethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaenyl)benzo[c]carbazole
SMILESCc1ccc2c(c1)C(C)(C)c1cc3c(cc1-2)C(C)(C)c1cc(-n2c4ccccc4c4c5ccccc5ccc42)c2ccccc2c1-3
InChIInChI=1S/C45H35N/c1-26-18-20-29-33-23-37-34(24-36(33)44(2,3)35(29)22-26)42-31-15-9-8-14-30(31)41(25-38(42)45(37,4)5)46-39-17-11-10-16-32(39)43-28-13-7-6-12-27(28)19-21-40(43)46/h6-25H,1-5H3
InChIKeyAPRDGGMXRHOSBN-UHFFFAOYSA-N
MW589.78 g/mol
LogP12.01
Rot. Bonds1

About 7-(12,12,19,22,22-pentamethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaenyl)benzo[c]carbazole

7-(12,12,19,22,22-pentamethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaenyl)benzo[c]carbazole (PubChem CID 143607853) has the molecular formula C45H35N and a molecular weight of 589.78 g/mol. Its IUPAC name is 7-(12,12,19,22,22-pentamethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaenyl)benzo[c]carbazole.

Molecular Properties

Compound Name7-(12,12,19,22,22-pentamethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaenyl)benzo[c]carbazole
PubChem CID143607853
Molecular FormulaC45H35N
Molecular Weight589.78 g/mol
Exact Mass589.28
IUPAC Name7-(12,12,19,22,22-pentamethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaenyl)benzo[c]carbazole
SMILESCc1ccc2c(c1)C(C)(C)c1cc3c(cc1-2)C(C)(C)c1cc(-n2c4ccccc4c4c5ccccc5ccc42)c2ccccc2c1-3
InChIInChI=1S/C45H35N/c1-26-18-20-29-33-23-37-34(24-36(33)44(2,3)35(29)22-26)42-31-15-9-8-14-30(31)41(25-38(42)45(37,4)5)46-39-17-11-10-16-32(39)43-28-13-7-6-12-27(28)19-21-40(43)46/h6-25H,1-5H3
InChIKeyAPRDGGMXRHOSBN-UHFFFAOYSA-N
XLogP12.01
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.78
LogP ≤ 512.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7-(12,12,19,22,22-pentamethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaenyl)benzo[c]carbazole with MolForge

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Related Compounds

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CID 88951378
9-(31-carbazol-9-yl-7,7,28,28-tetramethyl-21,21,42,42-tetraoctyl-10-undecacyclo[22.18.0.03,22.04,20.06,18.08,17.011,16.025,41.027,39.029,38.032,37]dotetraconta-1(24),2,4,6(18),8(17),9,11,13,15,19,22,25,27(39),29(38),30,32,34,36,40-nonadecaenyl)carbazole
CID 140901800
1-(naphthalen-1-ylmethyl)naphthalene;12,12,19,22,22-pentamethylhexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaene
CID 143607892
9-[9,9-dimethyl-7-(3-methylcarbazol-9-yl)fluoren-2-yl]-3-methylcarbazole
CID 86066589
5-(3,6-ditert-butylcarbazol-9-yl)-N,N-bis(3,5-dimethylphenyl)-7,7-dimethylbenzo[g]fluoren-9-amine
CID 126498123
2-benzo[c]carbazol-7-yl-5-(2-carbazol-9-yl-11,11-dimethylindeno[1,2-b]carbazol-5-yl)benzene-1,4-dicarbonitrile
CID 121328849
3-[7-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]-9-naphthalen-1-ylcarbazole
CID 59236166
9-[5,5,19,19,33,33-hexamethyl-30-(6-methyl-1-phenylcarbazol-9-yl)-19-silanonacyclo[18.15.0.02,18.04,16.06,15.09,14.022,34.023,32.024,29]pentatriaconta-1(35),2,4(16),6(15),7,9,11,13,17,20,22(34),23(32),24,26,28,30-hexadecaen-8-yl]-6-methyl-1-phenylcarbazole
CID 153448418
3-[4-[9,9-dimethyl-7-[4-(9-naphthalen-1-ylcarbazol-3-yl)naphthalen-1-yl]fluoren-2-yl]naphthalen-1-yl]-9-naphthalen-1-ylcarbazole
CID 59236729
N-(11,11-dimethylbenzo[b]fluoren-2-yl)-N-(7,7-dimethylbenzo[g]fluoren-9-yl)-5-(2,5-dimethylphenyl)-7,7-dimethylbenzo[g]fluoren-9-amine
CID 90277980
N-(4-benzo[c]carbazol-7-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 168771532
9,11,11-trimethyl-5-phenylindeno[1,2-b]carbazole
CID 71250183

Frequently Asked Questions

What is the IUPAC name of 7-(12,12,19,22,22-pentamethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaenyl)benzo[c]carbazole?
The IUPAC name of 7-(12,12,19,22,22-pentamethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaenyl)benzo[c]carbazole (CID 143607853) is 7-(12,12,19,22,22-pentamethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaenyl)benzo[c]carbazole.
What is the SMILES notation for 7-(12,12,19,22,22-pentamethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaenyl)benzo[c]carbazole?
The canonical SMILES for 7-(12,12,19,22,22-pentamethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaenyl)benzo[c]carbazole is Cc1ccc2c(c1)C(C)(C)c1cc3c(cc1-2)C(C)(C)c1cc(-n2c4ccccc4c4c5ccccc5ccc42)c2ccccc2c1-3.
What is the InChIKey of 7-(12,12,19,22,22-pentamethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaenyl)benzo[c]carbazole?
The InChIKey is APRDGGMXRHOSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H35N/c1-26-18-20-29-33-23-37-34(24-36(33)44(2,3)35(29)22-26)42-31-15-9-8-14-30(31)41(25-38(42)45(37,4)5)46-39-17-11-10-16-32(39)43-28-13-7-6-12-27(28)19-21-40(43)46/h6-25H,1-5H3.
What are the key properties of 7-(12,12,19,22,22-pentamethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaenyl)benzo[c]carbazole?
7-(12,12,19,22,22-pentamethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaenyl)benzo[c]carbazole has a molecular weight of 589.78 g/mol, XLogP of 12.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(12,12,19,22,22-pentamethyl-9-hexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16(21),17,19,23-undecaenyl)benzo[c]carbazole is sourced from PubChem (CID 143607853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).