6-(4-tert-butylphenyl)-12-methylindolo[2,1-a]isoquinoline

C27H25N — CID 71484408

IUPAC6-(4-tert-butylphenyl)-12-methylindolo[2,1-a]isoquinoline
SMILESCc1c2ccccc2n2c(-c3ccc(C(C)(C)C)cc3)cc3ccccc3c12
InChIInChI=1S/C27H25N/c1-18-22-10-7-8-12-24(22)28-25(17-20-9-5-6-11-23(20)26(18)28)19-13-15-21(16-14-19)27(2,3)4/h5-17H,1-4H3
InChIKeyKEQXCPZJOVVYGJ-UHFFFAOYSA-N
MW363.50 g/mol
LogP7.52
Rot. Bonds1

About 6-(4-tert-butylphenyl)-12-methylindolo[2,1-a]isoquinoline

6-(4-tert-butylphenyl)-12-methylindolo[2,1-a]isoquinoline (PubChem CID 71484408) has the molecular formula C27H25N and a molecular weight of 363.50 g/mol. Its IUPAC name is 6-(4-tert-butylphenyl)-12-methylindolo[2,1-a]isoquinoline.

Molecular Properties

Compound Name6-(4-tert-butylphenyl)-12-methylindolo[2,1-a]isoquinoline
PubChem CID71484408
Molecular FormulaC27H25N
Molecular Weight363.50 g/mol
Exact Mass363.20
IUPAC Name6-(4-tert-butylphenyl)-12-methylindolo[2,1-a]isoquinoline
SMILESCc1c2ccccc2n2c(-c3ccc(C(C)(C)C)cc3)cc3ccccc3c12
InChIInChI=1S/C27H25N/c1-18-22-10-7-8-12-24(22)28-25(17-20-9-5-6-11-23(20)26(18)28)19-13-15-21(16-14-19)27(2,3)4/h5-17H,1-4H3
InChIKeyKEQXCPZJOVVYGJ-UHFFFAOYSA-N
XLogP7.52
TPSA4.41 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.50
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-dimethyl-4-(12-methylindolo[2,1-a]isoquinolin-6-yl)aniline
CID 102037492
3-(4-tert-butylphenyl)-1-[3-(4-tert-butylphenyl)naphthalen-1-yl]naphthalene
CID 175769843
5,10-ditert-butyl-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaene
CID 102489233
5,24-bis(4-tert-butylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10,12,14,16(40),17,19,21,23,26,29,31,33,35(39),36-nonadecaene;13,18,32,37-tetratert-butyl-5,24-bis(4-tert-butylphenyl)-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene;13,18,32,37-tetratert-butyl-5,24-dinaphthalen-2-yl-9,28-diazaundecacyclo[26.10.1.19,16.02,27.04,25.06,23.08,21.010,15.029,34.035,39.020,40]tetraconta-1(38),2,4(25),5,7,10(15),11,13,16(40),17,19,21,23,26,29(34),30,32,35(39),36-nonadecaene
CID 159097162
9-(4-tert-butylphenyl)-10-phenanthren-9-ylanthracene
CID 59592442
6-tert-butyl-9,24-diazanonacyclo[15.13.1.12,9.03,8.010,15.018,23.024,31.025,30.016,32]dotriaconta-1(31),2(32),3(8),4,6,10,12,14,16,18,20,22,25,27,29-pentadecaene
CID 176726906
3-(4-tert-butylphenyl)-2-(7-methylquinolin-8-yl)isoquinolin-1-one
CID 164511182
14-[(4-tert-butyl-6-phenyl-2-pyridinyl)oxy]-9-methyl-2,15-diazahexacyclo[15.8.0.02,10.03,8.011,16.019,24]pentacosa-1(25),3,5,7,9,11(16),12,14,17,19,21,23-dodecaene
CID 177119945
2-(4-tert-butylphenyl)-9-iodocarbazole
CID 174193015
12-methylindolo[1,2-c]quinazolin-6-amine
CID 162409606
9-[4-[5-(4-tert-butylphenyl)-3-phenyl-1,2,4-triazol-1-yl]phenyl]carbazole
CID 59500034
9-[9-(4-tert-butylphenyl)-6-carbazol-9-yl-10-naphthalen-2-ylanthracen-2-yl]carbazole
CID 59220991

Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylphenyl)-12-methylindolo[2,1-a]isoquinoline?
The IUPAC name of 6-(4-tert-butylphenyl)-12-methylindolo[2,1-a]isoquinoline (CID 71484408) is 6-(4-tert-butylphenyl)-12-methylindolo[2,1-a]isoquinoline.
What is the SMILES notation for 6-(4-tert-butylphenyl)-12-methylindolo[2,1-a]isoquinoline?
The canonical SMILES for 6-(4-tert-butylphenyl)-12-methylindolo[2,1-a]isoquinoline is Cc1c2ccccc2n2c(-c3ccc(C(C)(C)C)cc3)cc3ccccc3c12.
What is the InChIKey of 6-(4-tert-butylphenyl)-12-methylindolo[2,1-a]isoquinoline?
The InChIKey is KEQXCPZJOVVYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N/c1-18-22-10-7-8-12-24(22)28-25(17-20-9-5-6-11-23(20)26(18)28)19-13-15-21(16-14-19)27(2,3)4/h5-17H,1-4H3.
What are the key properties of 6-(4-tert-butylphenyl)-12-methylindolo[2,1-a]isoquinoline?
6-(4-tert-butylphenyl)-12-methylindolo[2,1-a]isoquinoline has a molecular weight of 363.50 g/mol, XLogP of 7.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butylphenyl)-12-methylindolo[2,1-a]isoquinoline is sourced from PubChem (CID 71484408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).