6-bromo-2-ethyl-1,1-dimethyl-9-phenyl-3-[(Z)-prop-1-enyl]cyclopenta[b]carbazole

C28H26BrN — CID 144825892

IUPAC6-bromo-2-ethyl-1,1-dimethyl-9-phenyl-3-[(Z)-prop-1-enyl]cyclopenta[b]carbazole
SMILESC/C=C\C1=C(CC)C(C)(C)c2cc3c(cc21)c1cc(Br)ccc1n3-c1ccccc1
InChIInChI=1S/C28H26BrN/c1-5-10-20-21-16-23-22-15-18(29)13-14-26(22)30(19-11-8-7-9-12-19)27(23)17-25(21)28(3,4)24(20)6-2/h5,7-17H,6H2,1-4H3/b10-5-
InChIKeyPHXWBHNXCJAOGX-YHYXMXQVSA-N
MW456.43 g/mol
LogP8.58
Rot. Bonds3

About 6-bromo-2-ethyl-1,1-dimethyl-9-phenyl-3-[(Z)-prop-1-enyl]cyclopenta[b]carbazole

6-bromo-2-ethyl-1,1-dimethyl-9-phenyl-3-[(Z)-prop-1-enyl]cyclopenta[b]carbazole (PubChem CID 144825892) has the molecular formula C28H26BrN and a molecular weight of 456.43 g/mol. Its IUPAC name is 6-bromo-2-ethyl-1,1-dimethyl-9-phenyl-3-[(Z)-prop-1-enyl]cyclopenta[b]carbazole.

Molecular Properties

Compound Name6-bromo-2-ethyl-1,1-dimethyl-9-phenyl-3-[(Z)-prop-1-enyl]cyclopenta[b]carbazole
PubChem CID144825892
Molecular FormulaC28H26BrN
Molecular Weight456.43 g/mol
Exact Mass455.12
IUPAC Name6-bromo-2-ethyl-1,1-dimethyl-9-phenyl-3-[(Z)-prop-1-enyl]cyclopenta[b]carbazole
SMILESC/C=C\C1=C(CC)C(C)(C)c2cc3c(cc21)c1cc(Br)ccc1n3-c1ccccc1
InChIInChI=1S/C28H26BrN/c1-5-10-20-21-16-23-22-15-18(29)13-14-26(22)30(19-11-8-7-9-12-19)27(23)17-25(21)28(3,4)24(20)6-2/h5,7-17H,6H2,1-4H3/b10-5-
InChIKeyPHXWBHNXCJAOGX-YHYXMXQVSA-N
XLogP8.58
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.43
LogP ≤ 58.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;[2-ethyl-1,1-dimethyl-9-phenyl-3-[(Z)-prop-1-enyl]cyclopenta[b]carbazol-6-yl]boronic acid
CID 144825864
10-bromo-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 122470341
5-bromo-3-ethenyl-1-phenyl-2-[(Z)-prop-1-enyl]indole
CID 144919540
20-bromo-16-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-12,12-dimethyl-16-azahexacyclo[11.11.0.02,11.03,8.015,23.017,22]tetracosa-1(13),2(11),3,5,7,9,14,17(22),18,20,23-undecaene
CID 139365840
CID 89213448
CID 89213448
3-bromo-9-(9,9-dimethylfluoren-2-yl)carbazole
CID 89472048
2-carbazol-9-yl-7,7-dimethyl-5-phenylindeno[2,1-b]carbazole
CID 139504500
CID 88946984
CID 88946984
3-[(Z)-but-1-enyl]-2-ethyl-1,1,6-trimethylindene;ethane;7-(4-phenylphenyl)benzo[c]carbazole;toluene
CID 145362449
15-[4-(11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaen-15-yl)phenyl]-11,11-dimethyl-25-phenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene
CID 89492388
5-bromo-3-ethenyl-2-methyl-1-phenylindole
CID 123907696
3,6-dibromo-9-(9,9-diethylfluoren-2-yl)carbazole
CID 68542986

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-ethyl-1,1-dimethyl-9-phenyl-3-[(Z)-prop-1-enyl]cyclopenta[b]carbazole?
The IUPAC name of 6-bromo-2-ethyl-1,1-dimethyl-9-phenyl-3-[(Z)-prop-1-enyl]cyclopenta[b]carbazole (CID 144825892) is 6-bromo-2-ethyl-1,1-dimethyl-9-phenyl-3-[(Z)-prop-1-enyl]cyclopenta[b]carbazole.
What is the SMILES notation for 6-bromo-2-ethyl-1,1-dimethyl-9-phenyl-3-[(Z)-prop-1-enyl]cyclopenta[b]carbazole?
The canonical SMILES for 6-bromo-2-ethyl-1,1-dimethyl-9-phenyl-3-[(Z)-prop-1-enyl]cyclopenta[b]carbazole is C/C=C\C1=C(CC)C(C)(C)c2cc3c(cc21)c1cc(Br)ccc1n3-c1ccccc1.
What is the InChIKey of 6-bromo-2-ethyl-1,1-dimethyl-9-phenyl-3-[(Z)-prop-1-enyl]cyclopenta[b]carbazole?
The InChIKey is PHXWBHNXCJAOGX-YHYXMXQVSA-N. The full InChI is InChI=1S/C28H26BrN/c1-5-10-20-21-16-23-22-15-18(29)13-14-26(22)30(19-11-8-7-9-12-19)27(23)17-25(21)28(3,4)24(20)6-2/h5,7-17H,6H2,1-4H3/b10-5-.
What are the key properties of 6-bromo-2-ethyl-1,1-dimethyl-9-phenyl-3-[(Z)-prop-1-enyl]cyclopenta[b]carbazole?
6-bromo-2-ethyl-1,1-dimethyl-9-phenyl-3-[(Z)-prop-1-enyl]cyclopenta[b]carbazole has a molecular weight of 456.43 g/mol, XLogP of 8.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-ethyl-1,1-dimethyl-9-phenyl-3-[(Z)-prop-1-enyl]cyclopenta[b]carbazole is sourced from PubChem (CID 144825892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).