6-chloro-9-methoxy-10,10-dimethyl-5-(7-methylnaphthalen-2-yl)indeno[1,2-b]indole

C29H24ClNO — CID 167643442

IUPAC6-chloro-9-methoxy-10,10-dimethyl-5-(7-methylnaphthalen-2-yl)indeno[1,2-b]indole
SMILESCOc1ccc(Cl)c2c1c1c(n2-c2ccc3ccc(C)cc3c2)-c2ccccc2C1(C)C
InChIInChI=1S/C29H24ClNO/c1-17-9-10-18-11-12-20(16-19(18)15-17)31-27-21-7-5-6-8-22(21)29(2,3)26(27)25-24(32-4)14-13-23(30)28(25)31/h5-16H,1-4H3
InChIKeyZRBSAISFXHZNNA-UHFFFAOYSA-N
MW437.97 g/mol
LogP8.06
Rot. Bonds2

About 6-chloro-9-methoxy-10,10-dimethyl-5-(7-methylnaphthalen-2-yl)indeno[1,2-b]indole

6-chloro-9-methoxy-10,10-dimethyl-5-(7-methylnaphthalen-2-yl)indeno[1,2-b]indole (PubChem CID 167643442) has the molecular formula C29H24ClNO and a molecular weight of 437.97 g/mol. Its IUPAC name is 6-chloro-9-methoxy-10,10-dimethyl-5-(7-methylnaphthalen-2-yl)indeno[1,2-b]indole.

Molecular Properties

Compound Name6-chloro-9-methoxy-10,10-dimethyl-5-(7-methylnaphthalen-2-yl)indeno[1,2-b]indole
PubChem CID167643442
Molecular FormulaC29H24ClNO
Molecular Weight437.97 g/mol
Exact Mass437.15
IUPAC Name6-chloro-9-methoxy-10,10-dimethyl-5-(7-methylnaphthalen-2-yl)indeno[1,2-b]indole
SMILESCOc1ccc(Cl)c2c1c1c(n2-c2ccc3ccc(C)cc3c2)-c2ccccc2C1(C)C
InChIInChI=1S/C29H24ClNO/c1-17-9-10-18-11-12-20(16-19(18)15-17)31-27-21-7-5-6-8-22(21)29(2,3)26(27)25-24(32-4)14-13-23(30)28(25)31/h5-16H,1-4H3
InChIKeyZRBSAISFXHZNNA-UHFFFAOYSA-N
XLogP8.06
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.97
LogP ≤ 58.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-9-methoxy-10,10-dimethyl-5H-indeno[1,2-b]indole
CID 167209754
10,10-dimethyl-5-(4-methylphenyl)indeno[1,2-b]indole
CID 144549130
5-[6-(12,12-dimethylindeno[1,2-c]carbazol-5-yl)naphthalen-2-yl]-12,12-dimethylindeno[1,2-c]carbazole
CID 122548689
2-methylnaphthalene;2,9,9-trimethylfluorene
CID 144639676
5-(3-chloro-5-methylphenyl)-10,10-dimethylindeno[1,2-b]indole
CID 164771283
5-dibenzofuran-3-yl-10,10-dimethyl-6-pyren-1-ylindeno[1,2-b]indole
CID 171467024
10,10,21,21-tetramethyl-14-(6-methylnaphthalen-2-yl)-14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene
CID 139460040
21,21-dimethyl-3-naphthalen-2-yl-3-azaheptacyclo[14.11.1.02,14.04,13.07,12.020,28.022,27]octacosa-1(28),2(14),4(13),5,7,9,11,15,17,19,22,24,26-tridecaene
CID 134510204
1,5-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-2,6-bis(4-methylphenyl)pyrrolo[2,3-f]indole;1,5-di(anthracen-2-yl)-2,6-bis(4-methylphenyl)pyrrolo[2,3-f]indole
CID 159771384
3,10-bis(9,9-dimethylfluoren-1-yl)-7-(4-methylphenyl)benzo[c]carbazole
CID 175486857
1-[2-(9,9-dimethylfluoren-2-yl)phenyl]-9-naphthalen-2-ylcarbazole
CID 129312405
6,12,12-trimethylpentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 145162693

Frequently Asked Questions

What is the IUPAC name of 6-chloro-9-methoxy-10,10-dimethyl-5-(7-methylnaphthalen-2-yl)indeno[1,2-b]indole?
The IUPAC name of 6-chloro-9-methoxy-10,10-dimethyl-5-(7-methylnaphthalen-2-yl)indeno[1,2-b]indole (CID 167643442) is 6-chloro-9-methoxy-10,10-dimethyl-5-(7-methylnaphthalen-2-yl)indeno[1,2-b]indole.
What is the SMILES notation for 6-chloro-9-methoxy-10,10-dimethyl-5-(7-methylnaphthalen-2-yl)indeno[1,2-b]indole?
The canonical SMILES for 6-chloro-9-methoxy-10,10-dimethyl-5-(7-methylnaphthalen-2-yl)indeno[1,2-b]indole is COc1ccc(Cl)c2c1c1c(n2-c2ccc3ccc(C)cc3c2)-c2ccccc2C1(C)C.
What is the InChIKey of 6-chloro-9-methoxy-10,10-dimethyl-5-(7-methylnaphthalen-2-yl)indeno[1,2-b]indole?
The InChIKey is ZRBSAISFXHZNNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24ClNO/c1-17-9-10-18-11-12-20(16-19(18)15-17)31-27-21-7-5-6-8-22(21)29(2,3)26(27)25-24(32-4)14-13-23(30)28(25)31/h5-16H,1-4H3.
What are the key properties of 6-chloro-9-methoxy-10,10-dimethyl-5-(7-methylnaphthalen-2-yl)indeno[1,2-b]indole?
6-chloro-9-methoxy-10,10-dimethyl-5-(7-methylnaphthalen-2-yl)indeno[1,2-b]indole has a molecular weight of 437.97 g/mol, XLogP of 8.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-9-methoxy-10,10-dimethyl-5-(7-methylnaphthalen-2-yl)indeno[1,2-b]indole is sourced from PubChem (CID 167643442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).