9-naphthalen-2-yl-3-[4-[7'-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenyl]carbazole

C73H50N2 — CID 59236268

IUPAC9-naphthalen-2-yl-3-[4-[7'-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenyl]carbazole
SMILESc1ccc2cc(-n3c4ccccc4c4cc(-c5ccc(-c6ccc7c(c6)C6(CCCC6)c6cc(-c8ccc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccc%10ccccc%10c9)cc8)ccc6-7)cc5)ccc43)ccc2c1
InChIInChI=1S/C73H50N2/c1-3-13-53-41-59(33-27-47(53)11-1)74-69-17-7-5-15-63(69)65-43-55(31-37-71(65)74)49-19-23-51(24-20-49)57-29-35-61-62-36-30-58(46-68(62)73(67(61)45-57)39-9-10-40-73)52-25-21-50(22-26-52)56-32-38-72-66(44-56)64-16-6-8-18-70(64)75(72)60-34-28-48-12-2-4-14-54(48)42-60/h1-8,11-38,41-46H,9-10,39-40H2
InChIKeyISPTTWFXPOZBGC-UHFFFAOYSA-N
MW955.22 g/mol
LogP19.70
Rot. Bonds6

About 9-naphthalen-2-yl-3-[4-[7'-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenyl]carbazole

9-naphthalen-2-yl-3-[4-[7'-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenyl]carbazole (PubChem CID 59236268) has the molecular formula C73H50N2 and a molecular weight of 955.22 g/mol. Its IUPAC name is 9-naphthalen-2-yl-3-[4-[7'-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenyl]carbazole.

Molecular Properties

Compound Name9-naphthalen-2-yl-3-[4-[7'-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenyl]carbazole
PubChem CID59236268
Molecular FormulaC73H50N2
Molecular Weight955.22 g/mol
Exact Mass954.40
IUPAC Name9-naphthalen-2-yl-3-[4-[7'-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenyl]carbazole
SMILESc1ccc2cc(-n3c4ccccc4c4cc(-c5ccc(-c6ccc7c(c6)C6(CCCC6)c6cc(-c8ccc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccc%10ccccc%10c9)cc8)ccc6-7)cc5)ccc43)ccc2c1
InChIInChI=1S/C73H50N2/c1-3-13-53-41-59(33-27-47(53)11-1)74-69-17-7-5-15-63(69)65-43-55(31-37-71(65)74)49-19-23-51(24-20-49)57-29-35-61-62-36-30-58(46-68(62)73(67(61)45-57)39-9-10-40-73)52-25-21-50(22-26-52)56-32-38-72-66(44-56)64-16-6-8-18-70(64)75(72)60-34-28-48-12-2-4-14-54(48)42-60/h1-8,11-38,41-46H,9-10,39-40H2
InChIKeyISPTTWFXPOZBGC-UHFFFAOYSA-N
XLogP19.70
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500955.22
LogP ≤ 519.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9-naphthalen-2-yl-3-[6,6,12,12-tetramethyl-2-(9-naphthalen-2-ylcarbazol-3-yl)indeno[1,2-b]fluoren-8-yl]carbazole
CID 59236649
3-[9-(11,11-dimethylbenzo[b]fluoren-2-yl)carbazol-3-yl]-9-naphthalen-2-ylcarbazole
CID 176786074
CID 59236104
CID 59236104
ethane;9-naphthalen-2-yl-3-(9-naphthalen-2-ylcarbazol-3-yl)carbazole
CID 142515451
2',7'-bis(6-naphthalen-2-ylnaphthalen-2-yl)spiro[cyclohexane-1,9'-fluorene];2',7'-bis(6-pyren-1-ylpyren-1-yl)spiro[cyclohexane-1,9'-fluorene];9-[4-[7'-(4-carbazol-9-ylphenyl)-9,9'-spirobi[fluorene]-2'-yl]phenyl]carbazole;3-[9,9-dimethyl-7-(9-naphthalen-2-ylcarbazol-3-yl)fluoren-2-yl]-9-naphthalen-2-ylcarbazole;3-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-9-phenylcarbazole
CID 161313670
9-naphthalen-2-yl-3-[4-[(E)-2-[4-[7'-[4-[(E)-2-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]ethenyl]phenyl]spiro[1,2-dihydrocyclopenta[b]naphthalene-3,9'-fluorene]-2'-yl]phenyl]ethenyl]phenyl]carbazole
CID 59236126
3-[4-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]phenyl]-9-phenylcarbazole
CID 126764142
9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)carbazol-3-yl]carbazole;9-(9,9-dimethylfluoren-2-yl)-3-[9-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-ylcarbazol-3-yl]-6-naphthalen-2-ylcarbazole
CID 162081661
3-(9-naphthalen-2-ylcarbazol-3-yl)-9-phenylcarbazole;3-(9-phenylcarbazol-3-yl)-9-(4-phenylphenyl)carbazole;9-phenyl-3-(9-phenylcarbazol-3-yl)carbazole
CID 164948724
2-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazole;9-[4-(9,9-dimethyl-7-naphthalen-2-ylfluoren-2-yl)phenyl]carbazole;2-(9,9-dimethyl-7-phenylfluoren-2-yl)-9-phenylcarbazole;9-[4-(7'-naphthalen-2-yl-9,9'-spirobi[fluorene]-2'-yl)phenyl]carbazole;9-[4-(7'-naphthalen-2-ylspiro[cyclohexane-1,9'-fluorene]-2'-yl)phenyl]carbazole;9-[4-(7'-phenyl-9,9'-spirobi[fluorene]-2'-yl)phenyl]carbazole;9-[4-(7'-phenylspiro[cyclohexane-1,9'-fluorene]-2'-yl)phenyl]carbazole;9-[4-(9,9'-spirobi[fluorene]-2-yl)phenyl]carbazole;9-(4-spiro[cyclohexane-1,9'-fluorene]-2'-ylphenyl)carbazole
CID 157239426
5'-phenyl-2'-[9-(4-phenylphenyl)carbazol-3-yl]spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]
CID 154947464
9'-(9-phenylcarbazol-2-yl)-5'-(3-phenylphenyl)spiro[cyclohexane-1,11'-indeno[1,2-b]carbazole]
CID 146757100

Frequently Asked Questions

What is the IUPAC name of 9-naphthalen-2-yl-3-[4-[7'-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenyl]carbazole?
The IUPAC name of 9-naphthalen-2-yl-3-[4-[7'-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenyl]carbazole (CID 59236268) is 9-naphthalen-2-yl-3-[4-[7'-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenyl]carbazole.
What is the SMILES notation for 9-naphthalen-2-yl-3-[4-[7'-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenyl]carbazole?
The canonical SMILES for 9-naphthalen-2-yl-3-[4-[7'-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenyl]carbazole is c1ccc2cc(-n3c4ccccc4c4cc(-c5ccc(-c6ccc7c(c6)C6(CCCC6)c6cc(-c8ccc(-c9ccc%10c(c9)c9ccccc9n%10-c9ccc%10ccccc%10c9)cc8)ccc6-7)cc5)ccc43)ccc2c1.
What is the InChIKey of 9-naphthalen-2-yl-3-[4-[7'-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenyl]carbazole?
The InChIKey is ISPTTWFXPOZBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C73H50N2/c1-3-13-53-41-59(33-27-47(53)11-1)74-69-17-7-5-15-63(69)65-43-55(31-37-71(65)74)49-19-23-51(24-20-49)57-29-35-61-62-36-30-58(46-68(62)73(67(61)45-57)39-9-10-40-73)52-25-21-50(22-26-52)56-32-38-72-66(44-56)64-16-6-8-18-70(64)75(72)60-34-28-48-12-2-4-14-54(48)42-60/h1-8,11-38,41-46H,9-10,39-40H2.
What are the key properties of 9-naphthalen-2-yl-3-[4-[7'-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenyl]carbazole?
9-naphthalen-2-yl-3-[4-[7'-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenyl]carbazole has a molecular weight of 955.22 g/mol, XLogP of 19.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-naphthalen-2-yl-3-[4-[7'-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]spiro[cyclopentane-1,9'-fluorene]-2'-yl]phenyl]carbazole is sourced from PubChem (CID 59236268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).