1-[4-(3,6-dinaphthalen-2-yl-9H-carbazol-1-yl)butan-2-yl]-3,6-dinaphthalen-2-yl-9H-carbazole

C68H48N2 — CID 154634311

IUPAC1-[4-(3,6-dinaphthalen-2-yl-9H-carbazol-1-yl)butan-2-yl]-3,6-dinaphthalen-2-yl-9H-carbazole
SMILESCC(CCc1cc(-c2ccc3ccccc3c2)cc2c1[nH]c1ccc(-c3ccc4ccccc4c3)cc12)c1cc(-c2ccc3ccccc3c2)cc2c1[nH]c1ccc(-c3ccc4ccccc4c3)cc12
InChIInChI=1S/C68H48N2/c1-42(60-39-59(54-27-23-46-13-5-9-17-50(46)35-54)41-64-62-38-56(29-31-66(62)70-68(60)64)52-25-21-44-11-3-7-15-48(44)33-52)18-19-57-36-58(53-26-22-45-12-4-8-16-49(45)34-53)40-63-61-37-55(28-30-65(61)69-67(57)63)51-24-20-43-10-2-6-14-47(43)32-51/h2-17,20-42,69-70H,18-19H2,1H3
InChIKeyXQXAHIZJAPUQJM-UHFFFAOYSA-N
MW893.15 g/mol
LogP18.97
Rot. Bonds8

About 1-[4-(3,6-dinaphthalen-2-yl-9H-carbazol-1-yl)butan-2-yl]-3,6-dinaphthalen-2-yl-9H-carbazole

1-[4-(3,6-dinaphthalen-2-yl-9H-carbazol-1-yl)butan-2-yl]-3,6-dinaphthalen-2-yl-9H-carbazole (PubChem CID 154634311) has the molecular formula C68H48N2 and a molecular weight of 893.15 g/mol. Its IUPAC name is 1-[4-(3,6-dinaphthalen-2-yl-9H-carbazol-1-yl)butan-2-yl]-3,6-dinaphthalen-2-yl-9H-carbazole.

Molecular Properties

Compound Name1-[4-(3,6-dinaphthalen-2-yl-9H-carbazol-1-yl)butan-2-yl]-3,6-dinaphthalen-2-yl-9H-carbazole
PubChem CID154634311
Molecular FormulaC68H48N2
Molecular Weight893.15 g/mol
Exact Mass892.38
IUPAC Name1-[4-(3,6-dinaphthalen-2-yl-9H-carbazol-1-yl)butan-2-yl]-3,6-dinaphthalen-2-yl-9H-carbazole
SMILESCC(CCc1cc(-c2ccc3ccccc3c2)cc2c1[nH]c1ccc(-c3ccc4ccccc4c3)cc12)c1cc(-c2ccc3ccccc3c2)cc2c1[nH]c1ccc(-c3ccc4ccccc4c3)cc12
InChIInChI=1S/C68H48N2/c1-42(60-39-59(54-27-23-46-13-5-9-17-50(46)35-54)41-64-62-38-56(29-31-66(62)70-68(60)64)52-25-21-44-11-3-7-15-48(44)33-52)18-19-57-36-58(53-26-22-45-12-4-8-16-49(45)34-53)40-63-61-37-55(28-30-65(61)69-67(57)63)51-24-20-43-10-2-6-14-47(43)32-51/h2-17,20-42,69-70H,18-19H2,1H3
InChIKeyXQXAHIZJAPUQJM-UHFFFAOYSA-N
XLogP18.97
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500893.15
LogP ≤ 518.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

7H-Dibenzo(c,g)carbazole
CID 9134
Benzo[a]carbazole
CID 9196
3-tert-butyl-9H-carbazole
CID 12117342
6,11-Dihydro-5H-benzo(a)carbazole
CID 297591
3-Methylcarbazole
CID 20746
1,2:7,8-Dibenzocarbazole
CID 9200
5H-benzo[b]carbazole
CID 9202
7H-Benzo[c]carbazole
CID 67459
Calindol
CID 9882793
5,12-Dihydroindolo[3,2-a]carbazole
CID 4713445
2,3,4,11-tetrahydro-1H-benzo[a]carbazole
CID 11593764
8,9,10,11-Tetrahydro-7h-benzo[c]carbazole
CID 268511

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,6-dinaphthalen-2-yl-9H-carbazol-1-yl)butan-2-yl]-3,6-dinaphthalen-2-yl-9H-carbazole?
The IUPAC name of 1-[4-(3,6-dinaphthalen-2-yl-9H-carbazol-1-yl)butan-2-yl]-3,6-dinaphthalen-2-yl-9H-carbazole (CID 154634311) is 1-[4-(3,6-dinaphthalen-2-yl-9H-carbazol-1-yl)butan-2-yl]-3,6-dinaphthalen-2-yl-9H-carbazole.
What is the SMILES notation for 1-[4-(3,6-dinaphthalen-2-yl-9H-carbazol-1-yl)butan-2-yl]-3,6-dinaphthalen-2-yl-9H-carbazole?
The canonical SMILES for 1-[4-(3,6-dinaphthalen-2-yl-9H-carbazol-1-yl)butan-2-yl]-3,6-dinaphthalen-2-yl-9H-carbazole is CC(CCc1cc(-c2ccc3ccccc3c2)cc2c1[nH]c1ccc(-c3ccc4ccccc4c3)cc12)c1cc(-c2ccc3ccccc3c2)cc2c1[nH]c1ccc(-c3ccc4ccccc4c3)cc12.
What is the InChIKey of 1-[4-(3,6-dinaphthalen-2-yl-9H-carbazol-1-yl)butan-2-yl]-3,6-dinaphthalen-2-yl-9H-carbazole?
The InChIKey is XQXAHIZJAPUQJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H48N2/c1-42(60-39-59(54-27-23-46-13-5-9-17-50(46)35-54)41-64-62-38-56(29-31-66(62)70-68(60)64)52-25-21-44-11-3-7-15-48(44)33-52)18-19-57-36-58(53-26-22-45-12-4-8-16-49(45)34-53)40-63-61-37-55(28-30-65(61)69-67(57)63)51-24-20-43-10-2-6-14-47(43)32-51/h2-17,20-42,69-70H,18-19H2,1H3.
What are the key properties of 1-[4-(3,6-dinaphthalen-2-yl-9H-carbazol-1-yl)butan-2-yl]-3,6-dinaphthalen-2-yl-9H-carbazole?
1-[4-(3,6-dinaphthalen-2-yl-9H-carbazol-1-yl)butan-2-yl]-3,6-dinaphthalen-2-yl-9H-carbazole has a molecular weight of 893.15 g/mol, XLogP of 18.97, 8 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,6-dinaphthalen-2-yl-9H-carbazol-1-yl)butan-2-yl]-3,6-dinaphthalen-2-yl-9H-carbazole is sourced from PubChem (CID 154634311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).