3-[1,1,2,2,3,3-hexamethyl-6-(3-phenylphenyl)inden-5-yl]-9-naphthalen-1-ylcarbazole

C49H43N — CID 170567805

IUPAC3-[1,1,2,2,3,3-hexamethyl-6-(3-phenylphenyl)inden-5-yl]-9-naphthalen-1-ylcarbazole
SMILESCC1(C)c2cc(-c3cccc(-c4ccccc4)c3)c(-c3ccc4c(c3)c3ccccc3n4-c3cccc4ccccc34)cc2C(C)(C)C1(C)C
InChIInChI=1S/C49H43N/c1-47(2)42-30-39(35-21-14-20-34(28-35)32-16-8-7-9-17-32)40(31-43(42)48(3,4)49(47,5)6)36-26-27-46-41(29-36)38-23-12-13-24-45(38)50(46)44-25-15-19-33-18-10-11-22-37(33)44/h7-31H,1-6H3
InChIKeySNJRPJLKFSWZNP-UHFFFAOYSA-N
MW645.89 g/mol
LogP13.53
Rot. Bonds4

About 3-[1,1,2,2,3,3-hexamethyl-6-(3-phenylphenyl)inden-5-yl]-9-naphthalen-1-ylcarbazole

3-[1,1,2,2,3,3-hexamethyl-6-(3-phenylphenyl)inden-5-yl]-9-naphthalen-1-ylcarbazole (PubChem CID 170567805) has the molecular formula C49H43N and a molecular weight of 645.89 g/mol. Its IUPAC name is 3-[1,1,2,2,3,3-hexamethyl-6-(3-phenylphenyl)inden-5-yl]-9-naphthalen-1-ylcarbazole.

Molecular Properties

Compound Name3-[1,1,2,2,3,3-hexamethyl-6-(3-phenylphenyl)inden-5-yl]-9-naphthalen-1-ylcarbazole
PubChem CID170567805
Molecular FormulaC49H43N
Molecular Weight645.89 g/mol
Exact Mass645.34
IUPAC Name3-[1,1,2,2,3,3-hexamethyl-6-(3-phenylphenyl)inden-5-yl]-9-naphthalen-1-ylcarbazole
SMILESCC1(C)c2cc(-c3cccc(-c4ccccc4)c3)c(-c3ccc4c(c3)c3ccccc3n4-c3cccc4ccccc34)cc2C(C)(C)C1(C)C
InChIInChI=1S/C49H43N/c1-47(2)42-30-39(35-21-14-20-34(28-35)32-16-8-7-9-17-32)40(31-43(42)48(3,4)49(47,5)6)36-26-27-46-41(29-36)38-23-12-13-24-45(38)50(46)44-25-15-19-33-18-10-11-22-37(33)44/h7-31H,1-6H3
InChIKeySNJRPJLKFSWZNP-UHFFFAOYSA-N
XLogP13.53
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500645.89
LogP ≤ 513.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-(4-phenylphenyl)-3-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 159733846
9-naphthalen-1-yl-3-(3-phenanthren-3-ylphenyl)carbazole
CID 87171339
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
3-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylnaphthalen-1-yl)carbazole
CID 118581890
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
3-[4-[7-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]-9,9-dimethylfluoren-2-yl]phenyl]-9-phenylcarbazole
CID 59236669
3-[4-[9,9-dimethyl-7-(9-naphthalen-1-ylcarbazol-3-yl)fluoren-2-yl]phenyl]-9-phenylcarbazole
CID 59236549
9-naphthalen-1-yl-3-(9-phenylcarbazol-3-yl)-5-(3-phenylphenyl)carbazole
CID 134369784
9-naphthalen-1-yl-3-(3-naphthalen-1-ylphenyl)carbazole;9-naphthalen-1-yl-3-(3-naphthalen-2-ylphenyl)carbazole;9-naphthalen-1-yl-3-(4-triphenylen-2-ylphenyl)carbazole
CID 158894954
2-(9-naphthalen-1-ylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole
CID 142356851
9-naphthalen-1-yl-3-[4-[7'-[7'-[4-(9-naphthalen-1-ylcarbazol-3-yl)phenyl]-9,9'-spirobi[fluorene]-2'-yl]-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole
CID 59236395
11-[3,5-bis(4-phenylphenyl)phenyl]-5-phenylindolo[3,2-b]carbazole;5-(3,5-diphenylphenyl)-2,11-diphenylindolo[3,2-b]carbazole;11-(3,5-diphenylphenyl)-5-naphthalen-1-ylindolo[3,2-b]carbazole
CID 158931818

Frequently Asked Questions

What is the IUPAC name of 3-[1,1,2,2,3,3-hexamethyl-6-(3-phenylphenyl)inden-5-yl]-9-naphthalen-1-ylcarbazole?
The IUPAC name of 3-[1,1,2,2,3,3-hexamethyl-6-(3-phenylphenyl)inden-5-yl]-9-naphthalen-1-ylcarbazole (CID 170567805) is 3-[1,1,2,2,3,3-hexamethyl-6-(3-phenylphenyl)inden-5-yl]-9-naphthalen-1-ylcarbazole.
What is the SMILES notation for 3-[1,1,2,2,3,3-hexamethyl-6-(3-phenylphenyl)inden-5-yl]-9-naphthalen-1-ylcarbazole?
The canonical SMILES for 3-[1,1,2,2,3,3-hexamethyl-6-(3-phenylphenyl)inden-5-yl]-9-naphthalen-1-ylcarbazole is CC1(C)c2cc(-c3cccc(-c4ccccc4)c3)c(-c3ccc4c(c3)c3ccccc3n4-c3cccc4ccccc34)cc2C(C)(C)C1(C)C.
What is the InChIKey of 3-[1,1,2,2,3,3-hexamethyl-6-(3-phenylphenyl)inden-5-yl]-9-naphthalen-1-ylcarbazole?
The InChIKey is SNJRPJLKFSWZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H43N/c1-47(2)42-30-39(35-21-14-20-34(28-35)32-16-8-7-9-17-32)40(31-43(42)48(3,4)49(47,5)6)36-26-27-46-41(29-36)38-23-12-13-24-45(38)50(46)44-25-15-19-33-18-10-11-22-37(33)44/h7-31H,1-6H3.
What are the key properties of 3-[1,1,2,2,3,3-hexamethyl-6-(3-phenylphenyl)inden-5-yl]-9-naphthalen-1-ylcarbazole?
3-[1,1,2,2,3,3-hexamethyl-6-(3-phenylphenyl)inden-5-yl]-9-naphthalen-1-ylcarbazole has a molecular weight of 645.89 g/mol, XLogP of 13.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1,1,2,2,3,3-hexamethyl-6-(3-phenylphenyl)inden-5-yl]-9-naphthalen-1-ylcarbazole is sourced from PubChem (CID 170567805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).