2-[9-(1,8a-dihydronaphthalen-1-yl)carbazol-3-yl]-5-naphthalen-2-yl-7,7-diphenyl-4,4a-dihydroindeno[2,1-b]carbazole

C63H44N2 — CID 145080282

IUPAC2-[9-(1,8a-dihydronaphthalen-1-yl)carbazol-3-yl]-5-naphthalen-2-yl-7,7-diphenyl-4,4a-dihydroindeno[2,1-b]carbazole
SMILESC1=CC2=CC=CC(n3c4ccccc4c4cc(C5=CCC6C(=C5)c5cc7c(cc5N6c5ccc6ccccc6c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-7)ccc43)C2C=C1
InChIInChI=1S/C63H44N2/c1-3-20-46(21-4-1)63(47-22-5-2-6-23-47)56-27-13-11-25-50(56)52-39-55-54-38-45(31-34-60(54)64(62(55)40-57(52)63)48-33-30-41-16-7-8-18-43(41)36-48)44-32-35-61-53(37-44)51-26-12-14-28-59(51)65(61)58-29-15-19-42-17-9-10-24-49(42)58/h1-33,35-40,49,58,60H,34H2
InChIKeyJCOKSHRVOCYNRP-UHFFFAOYSA-N
MW829.06 g/mol
LogP15.48
Rot. Bonds5

About 2-[9-(1,8a-dihydronaphthalen-1-yl)carbazol-3-yl]-5-naphthalen-2-yl-7,7-diphenyl-4,4a-dihydroindeno[2,1-b]carbazole

2-[9-(1,8a-dihydronaphthalen-1-yl)carbazol-3-yl]-5-naphthalen-2-yl-7,7-diphenyl-4,4a-dihydroindeno[2,1-b]carbazole (PubChem CID 145080282) has the molecular formula C63H44N2 and a molecular weight of 829.06 g/mol. Its IUPAC name is 2-[9-(1,8a-dihydronaphthalen-1-yl)carbazol-3-yl]-5-naphthalen-2-yl-7,7-diphenyl-4,4a-dihydroindeno[2,1-b]carbazole.

Molecular Properties

Compound Name2-[9-(1,8a-dihydronaphthalen-1-yl)carbazol-3-yl]-5-naphthalen-2-yl-7,7-diphenyl-4,4a-dihydroindeno[2,1-b]carbazole
PubChem CID145080282
Molecular FormulaC63H44N2
Molecular Weight829.06 g/mol
Exact Mass828.35
IUPAC Name2-[9-(1,8a-dihydronaphthalen-1-yl)carbazol-3-yl]-5-naphthalen-2-yl-7,7-diphenyl-4,4a-dihydroindeno[2,1-b]carbazole
SMILESC1=CC2=CC=CC(n3c4ccccc4c4cc(C5=CCC6C(=C5)c5cc7c(cc5N6c5ccc6ccccc6c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-7)ccc43)C2C=C1
InChIInChI=1S/C63H44N2/c1-3-20-46(21-4-1)63(47-22-5-2-6-23-47)56-27-13-11-25-50(56)52-39-55-54-38-45(31-34-60(54)64(62(55)40-57(52)63)48-33-30-41-16-7-8-18-43(41)36-48)44-32-35-61-53(37-44)51-26-12-14-28-59(51)65(61)58-29-15-19-42-17-9-10-24-49(42)58/h1-33,35-40,49,58,60H,34H2
InChIKeyJCOKSHRVOCYNRP-UHFFFAOYSA-N
XLogP15.48
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500829.06
LogP ≤ 515.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[9-(1,8a-dihydronaphthalen-1-yl)carbazol-3-yl]-5-naphthalen-2-yl-7,7-diphenyl-4,4a-dihydroindeno[2,1-b]carbazole with MolForge

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Related Compounds

9-[4-(9-phenylfluoren-9-yl)phenyl]-3-[9-(4-phenylphenyl)-1,9a-dihydrocarbazol-3-yl]carbazole
CID 134407184
5-naphthalen-2-yl-2-(9-naphthalen-2-ylcarbazol-3-yl)-7,7-diphenylindeno[2,1-b]carbazole;5-naphthalen-2-yl-2-(9-naphthalen-2-ylcarbazol-3-yl)-11,11-diphenylindeno[1,2-b]carbazole
CID 160877708
3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole;3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
CID 157226629
15-(4-naphthalen-2-ylphenyl)-11,11,25-triphenyl-15,25-diazaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2,4(12),5,7,9,13,17,19,21,23,26-dodecaene
CID 89492473
N-[3-[2-[9-(9,9-diphenylfluoren-2-yl)-8,8a-dihydrocarbazol-2-yl]phenyl]phenyl]-N-naphthalen-1-ylnaphthalen-1-amine;prop-1-ene
CID 144907547
12'-(4,6-diphenylpyrimidin-2-yl)-3'-(7-phenyl-7a,8-dihydrobenzo[c]carbazol-10-yl)spiro[fluorene-9,7'-indeno[1,2-a]carbazole]
CID 118613584
9-[4-(3-cyclohexa-1,3-dien-1-ylphenyl)phenyl]-3-(9-naphthalen-1-yl-1,9a-dihydrocarbazol-3-yl)carbazole
CID 170143175
N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 71175459
9-naphthalen-2-yl-3-[3-(9,9'-spirobi[fluorene]-3-yl)phenyl]carbazole
CID 130397941
3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]-9-(4-phenylphenyl)carbazole
CID 118449222
9-[4-[4-[4-[4-[3-[9-(9,9-diphenylfluoren-2-yl)carbazol-3-yl]carbazol-9-yl]phenyl]phenyl]phenyl]phenyl]-3-phenyl-6-[9-(4-phenylphenyl)carbazol-3-yl]carbazole
CID 134354328
9-naphthalen-2-yl-3-[4-[(E)-2-[7-[(E)-2-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]ethenyl]-9,9-diphenylfluoren-2-yl]ethenyl]phenyl]carbazole
CID 59236285

Frequently Asked Questions

What is the IUPAC name of 2-[9-(1,8a-dihydronaphthalen-1-yl)carbazol-3-yl]-5-naphthalen-2-yl-7,7-diphenyl-4,4a-dihydroindeno[2,1-b]carbazole?
The IUPAC name of 2-[9-(1,8a-dihydronaphthalen-1-yl)carbazol-3-yl]-5-naphthalen-2-yl-7,7-diphenyl-4,4a-dihydroindeno[2,1-b]carbazole (CID 145080282) is 2-[9-(1,8a-dihydronaphthalen-1-yl)carbazol-3-yl]-5-naphthalen-2-yl-7,7-diphenyl-4,4a-dihydroindeno[2,1-b]carbazole.
What is the SMILES notation for 2-[9-(1,8a-dihydronaphthalen-1-yl)carbazol-3-yl]-5-naphthalen-2-yl-7,7-diphenyl-4,4a-dihydroindeno[2,1-b]carbazole?
The canonical SMILES for 2-[9-(1,8a-dihydronaphthalen-1-yl)carbazol-3-yl]-5-naphthalen-2-yl-7,7-diphenyl-4,4a-dihydroindeno[2,1-b]carbazole is C1=CC2=CC=CC(n3c4ccccc4c4cc(C5=CCC6C(=C5)c5cc7c(cc5N6c5ccc6ccccc6c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-7)ccc43)C2C=C1.
What is the InChIKey of 2-[9-(1,8a-dihydronaphthalen-1-yl)carbazol-3-yl]-5-naphthalen-2-yl-7,7-diphenyl-4,4a-dihydroindeno[2,1-b]carbazole?
The InChIKey is JCOKSHRVOCYNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H44N2/c1-3-20-46(21-4-1)63(47-22-5-2-6-23-47)56-27-13-11-25-50(56)52-39-55-54-38-45(31-34-60(54)64(62(55)40-57(52)63)48-33-30-41-16-7-8-18-43(41)36-48)44-32-35-61-53(37-44)51-26-12-14-28-59(51)65(61)58-29-15-19-42-17-9-10-24-49(42)58/h1-33,35-40,49,58,60H,34H2.
What are the key properties of 2-[9-(1,8a-dihydronaphthalen-1-yl)carbazol-3-yl]-5-naphthalen-2-yl-7,7-diphenyl-4,4a-dihydroindeno[2,1-b]carbazole?
2-[9-(1,8a-dihydronaphthalen-1-yl)carbazol-3-yl]-5-naphthalen-2-yl-7,7-diphenyl-4,4a-dihydroindeno[2,1-b]carbazole has a molecular weight of 829.06 g/mol, XLogP of 15.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[9-(1,8a-dihydronaphthalen-1-yl)carbazol-3-yl]-5-naphthalen-2-yl-7,7-diphenyl-4,4a-dihydroindeno[2,1-b]carbazole is sourced from PubChem (CID 145080282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).