(9R)-6,9,10,10-tetramethyl-5-[3-(6,10,10-trimethyl-6,7,8,9-tetrahydrocyclohepta[b]indol-5-yl)phenyl]-6,7,8,9-tetrahydrocyclohepta[b]indole

C39H46N2 — CID 130311185

IUPAC(9R)-6,9,10,10-tetramethyl-5-[3-(6,10,10-trimethyl-6,7,8,9-tetrahydrocyclohepta[b]indol-5-yl)phenyl]-6,7,8,9-tetrahydrocyclohepta[b]indole
SMILESCC1CCCC(C)(C)c2c1n(-c1cccc(-n3c4c(c5ccccc53)C(C)(C)[C@H](C)CCC4C)c1)c1ccccc21
InChIInChI=1S/C39H46N2/c1-25-14-13-23-38(4,5)34-30-17-8-10-19-32(30)40(36(25)34)28-15-12-16-29(24-28)41-33-20-11-9-18-31(33)35-37(41)26(2)21-22-27(3)39(35,6)7/h8-12,15-20,24-27H,13-14,21-23H2,1-7H3/t25?,26?,27-/m1/s1
InChIKeyBIYLKIOCZGJODO-WZDPVOGJSA-N
MW542.81 g/mol
LogP10.95
Rot. Bonds2

About (9R)-6,9,10,10-tetramethyl-5-[3-(6,10,10-trimethyl-6,7,8,9-tetrahydrocyclohepta[b]indol-5-yl)phenyl]-6,7,8,9-tetrahydrocyclohepta[b]indole

(9R)-6,9,10,10-tetramethyl-5-[3-(6,10,10-trimethyl-6,7,8,9-tetrahydrocyclohepta[b]indol-5-yl)phenyl]-6,7,8,9-tetrahydrocyclohepta[b]indole (PubChem CID 130311185) has the molecular formula C39H46N2 and a molecular weight of 542.81 g/mol. Its IUPAC name is (9R)-6,9,10,10-tetramethyl-5-[3-(6,10,10-trimethyl-6,7,8,9-tetrahydrocyclohepta[b]indol-5-yl)phenyl]-6,7,8,9-tetrahydrocyclohepta[b]indole.

Molecular Properties

Compound Name(9R)-6,9,10,10-tetramethyl-5-[3-(6,10,10-trimethyl-6,7,8,9-tetrahydrocyclohepta[b]indol-5-yl)phenyl]-6,7,8,9-tetrahydrocyclohepta[b]indole
PubChem CID130311185
Molecular FormulaC39H46N2
Molecular Weight542.81 g/mol
Exact Mass542.37
IUPAC Name(9R)-6,9,10,10-tetramethyl-5-[3-(6,10,10-trimethyl-6,7,8,9-tetrahydrocyclohepta[b]indol-5-yl)phenyl]-6,7,8,9-tetrahydrocyclohepta[b]indole
SMILESCC1CCCC(C)(C)c2c1n(-c1cccc(-n3c4c(c5ccccc53)C(C)(C)[C@H](C)CCC4C)c1)c1ccccc21
InChIInChI=1S/C39H46N2/c1-25-14-13-23-38(4,5)34-30-17-8-10-19-32(30)40(36(25)34)28-15-12-16-29(24-28)41-33-20-11-9-18-31(33)35-37(41)26(2)21-22-27(3)39(35,6)7/h8-12,15-20,24-27H,13-14,21-23H2,1-7H3/t25?,26?,27-/m1/s1
InChIKeyBIYLKIOCZGJODO-WZDPVOGJSA-N
XLogP10.95
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.81
LogP ≤ 510.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (9R)-6,9,10,10-tetramethyl-5-[3-(6,10,10-trimethyl-6,7,8,9-tetrahydrocyclohepta[b]indol-5-yl)phenyl]-6,7,8,9-tetrahydrocyclohepta[b]indole with MolForge

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Related Compounds

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9-(3-carbazol-9-ylphenyl)carbazole;methane
CID 157215827
4-[3-(1,3-dimethyl-1,3-diphenyl-2H-cyclopenta[b]indol-4-yl)phenyl]-1,3-dimethyl-1,3-diphenyl-2H-cyclopenta[b]indole
CID 59227881
9-[3-(1,1,2,2,3,3-hexamethylcyclopenta[b]carbazol-9-yl)phenyl]-1,1,2,2,3,3-hexamethylcyclopenta[b]carbazole
CID 126598362
3-methyl-9-[3-(3-methylcarbazol-9-yl)phenyl]carbazole
CID 59399075
5-(3-carbazol-9-ylphenyl)-11-(6-carbazol-9-yl-2-pyridinyl)indolo[3,2-b]carbazole
CID 118458147
9-[3-[3,6-bis(3-carbazol-9-ylphenyl)carbazol-9-yl]phenyl]-3,6-bis(3-carbazol-9-ylphenyl)carbazole
CID 153162679
9-[3-(3-carbazol-9-ylphenyl)phenyl]carbazole
CID 23386664
2-(9-phenylcarbazol-2-yl)-9-[3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]carbazole
CID 170277971
ethane;9-(3-methylphenyl)carbazole
CID 143904684
3,6-ditert-butyl-9-(3-carbazol-9-ylphenyl)carbazole
CID 59399108
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CID 118502372

Frequently Asked Questions

What is the IUPAC name of (9R)-6,9,10,10-tetramethyl-5-[3-(6,10,10-trimethyl-6,7,8,9-tetrahydrocyclohepta[b]indol-5-yl)phenyl]-6,7,8,9-tetrahydrocyclohepta[b]indole?
The IUPAC name of (9R)-6,9,10,10-tetramethyl-5-[3-(6,10,10-trimethyl-6,7,8,9-tetrahydrocyclohepta[b]indol-5-yl)phenyl]-6,7,8,9-tetrahydrocyclohepta[b]indole (CID 130311185) is (9R)-6,9,10,10-tetramethyl-5-[3-(6,10,10-trimethyl-6,7,8,9-tetrahydrocyclohepta[b]indol-5-yl)phenyl]-6,7,8,9-tetrahydrocyclohepta[b]indole.
What is the SMILES notation for (9R)-6,9,10,10-tetramethyl-5-[3-(6,10,10-trimethyl-6,7,8,9-tetrahydrocyclohepta[b]indol-5-yl)phenyl]-6,7,8,9-tetrahydrocyclohepta[b]indole?
The canonical SMILES for (9R)-6,9,10,10-tetramethyl-5-[3-(6,10,10-trimethyl-6,7,8,9-tetrahydrocyclohepta[b]indol-5-yl)phenyl]-6,7,8,9-tetrahydrocyclohepta[b]indole is CC1CCCC(C)(C)c2c1n(-c1cccc(-n3c4c(c5ccccc53)C(C)(C)[C@H](C)CCC4C)c1)c1ccccc21.
What is the InChIKey of (9R)-6,9,10,10-tetramethyl-5-[3-(6,10,10-trimethyl-6,7,8,9-tetrahydrocyclohepta[b]indol-5-yl)phenyl]-6,7,8,9-tetrahydrocyclohepta[b]indole?
The InChIKey is BIYLKIOCZGJODO-WZDPVOGJSA-N. The full InChI is InChI=1S/C39H46N2/c1-25-14-13-23-38(4,5)34-30-17-8-10-19-32(30)40(36(25)34)28-15-12-16-29(24-28)41-33-20-11-9-18-31(33)35-37(41)26(2)21-22-27(3)39(35,6)7/h8-12,15-20,24-27H,13-14,21-23H2,1-7H3/t25?,26?,27-/m1/s1.
What are the key properties of (9R)-6,9,10,10-tetramethyl-5-[3-(6,10,10-trimethyl-6,7,8,9-tetrahydrocyclohepta[b]indol-5-yl)phenyl]-6,7,8,9-tetrahydrocyclohepta[b]indole?
(9R)-6,9,10,10-tetramethyl-5-[3-(6,10,10-trimethyl-6,7,8,9-tetrahydrocyclohepta[b]indol-5-yl)phenyl]-6,7,8,9-tetrahydrocyclohepta[b]indole has a molecular weight of 542.81 g/mol, XLogP of 10.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9R)-6,9,10,10-tetramethyl-5-[3-(6,10,10-trimethyl-6,7,8,9-tetrahydrocyclohepta[b]indol-5-yl)phenyl]-6,7,8,9-tetrahydrocyclohepta[b]indole is sourced from PubChem (CID 130311185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).