9-[4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)phenyl]-N,N-bis(4-phenylphenyl)carbazol-2-amine

C75H60N2 — CID 171418886

IUPAC9-[4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)phenyl]-N,N-bis(4-phenylphenyl)carbazol-2-amine
SMILESCC(C)(C)c1ccc2c(c1)C1(c3cc(C(C)(C)C)ccc3-2)c2ccccc2-c2c(-c3ccc(-n4c5ccccc5c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)cc54)cc3)cccc21
InChIInChI=1S/C75H60N2/c1-73(2,3)54-34-43-61-62-44-35-55(74(4,5)6)47-69(62)75(68(61)46-54)66-25-15-13-23-65(66)72-60(24-17-26-67(72)75)53-32-40-58(41-33-53)77-70-27-16-14-22-63(70)64-45-42-59(48-71(64)77)76(56-36-28-51(29-37-56)49-18-9-7-10-19-49)57-38-30-52(31-39-57)50-20-11-8-12-21-50/h7-48H,1-6H3
InChIKeyJSVJVWQKAWDTRK-UHFFFAOYSA-N
MW989.32 g/mol
LogP20.19
Rot. Bonds7

About 9-[4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)phenyl]-N,N-bis(4-phenylphenyl)carbazol-2-amine

9-[4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)phenyl]-N,N-bis(4-phenylphenyl)carbazol-2-amine (PubChem CID 171418886) has the molecular formula C75H60N2 and a molecular weight of 989.32 g/mol. Its IUPAC name is 9-[4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)phenyl]-N,N-bis(4-phenylphenyl)carbazol-2-amine.

Molecular Properties

Compound Name9-[4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)phenyl]-N,N-bis(4-phenylphenyl)carbazol-2-amine
PubChem CID171418886
Molecular FormulaC75H60N2
Molecular Weight989.32 g/mol
Exact Mass988.48
IUPAC Name9-[4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)phenyl]-N,N-bis(4-phenylphenyl)carbazol-2-amine
SMILESCC(C)(C)c1ccc2c(c1)C1(c3cc(C(C)(C)C)ccc3-2)c2ccccc2-c2c(-c3ccc(-n4c5ccccc5c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)cc54)cc3)cccc21
InChIInChI=1S/C75H60N2/c1-73(2,3)54-34-43-61-62-44-35-55(74(4,5)6)47-69(62)75(68(61)46-54)66-25-15-13-23-65(66)72-60(24-17-26-67(72)75)53-32-40-58(41-33-53)77-70-27-16-14-22-63(70)64-45-42-59(48-71(64)77)76(56-36-28-51(29-37-56)49-18-9-7-10-19-49)57-38-30-52(31-39-57)50-20-11-8-12-21-50/h7-48H,1-6H3
InChIKeyJSVJVWQKAWDTRK-UHFFFAOYSA-N
XLogP20.19
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500989.32
LogP ≤ 520.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 9-[4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)phenyl]-N,N-bis(4-phenylphenyl)carbazol-2-amine with MolForge

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Related Compounds

N,8-diphenyl-N-(4-phenylphenyl)-9-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]carbazol-2-amine
CID 171418926
N-[4-(3-carbazol-9-ylphenyl)phenyl]-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-2-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-2-amine
CID 158727335
bis(N-(4-carbazol-9-ylphenyl)-2',7'-dimethyl-N-phenyl-9,9'-spirobi[fluorene]-2-amine);2',7'-ditert-butyl-N-(4-carbazol-9-ylphenyl)-N-phenyl-9,9'-spirobi[fluorene]-2-amine
CID 157386600
2-N'-[4-[4-[3-[4-(N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-7-N'-phenyl-2-N'-(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine
CID 167023334
9-phenyl-N-(3-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-2-amine
CID 90124613
N-(3-carbazol-9-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-2-amine;N-(4-carbazol-9-ylphenyl)-N-[4-(9,9-diphenylfluoren-4-yl)phenyl]-9,9-diphenylfluoren-2-amine
CID 159606680
4-N,4-N-diphenyl-4-N'-(9-phenylcarbazol-2-yl)-4-N'-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4,4'-diamine
CID 164838090
3-N',4-N-diphenyl-3-N'-(9-phenylcarbazol-2-yl)-4-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3',4-diamine
CID 164838003
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-11-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]benzo[a]carbazol-9-amine
CID 171418918
9-phenyl-N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylcarbazol-3-amine
CID 130262866
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)-3-spiro[fluorene-9,9'-xanthene]-4-ylaniline
CID 90154111
N-[4-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 130308738

Frequently Asked Questions

What is the IUPAC name of 9-[4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)phenyl]-N,N-bis(4-phenylphenyl)carbazol-2-amine?
The IUPAC name of 9-[4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)phenyl]-N,N-bis(4-phenylphenyl)carbazol-2-amine (CID 171418886) is 9-[4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)phenyl]-N,N-bis(4-phenylphenyl)carbazol-2-amine.
What is the SMILES notation for 9-[4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)phenyl]-N,N-bis(4-phenylphenyl)carbazol-2-amine?
The canonical SMILES for 9-[4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)phenyl]-N,N-bis(4-phenylphenyl)carbazol-2-amine is CC(C)(C)c1ccc2c(c1)C1(c3cc(C(C)(C)C)ccc3-2)c2ccccc2-c2c(-c3ccc(-n4c5ccccc5c5ccc(N(c6ccc(-c7ccccc7)cc6)c6ccc(-c7ccccc7)cc6)cc54)cc3)cccc21.
What is the InChIKey of 9-[4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)phenyl]-N,N-bis(4-phenylphenyl)carbazol-2-amine?
The InChIKey is JSVJVWQKAWDTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C75H60N2/c1-73(2,3)54-34-43-61-62-44-35-55(74(4,5)6)47-69(62)75(68(61)46-54)66-25-15-13-23-65(66)72-60(24-17-26-67(72)75)53-32-40-58(41-33-53)77-70-27-16-14-22-63(70)64-45-42-59(48-71(64)77)76(56-36-28-51(29-37-56)49-18-9-7-10-19-49)57-38-30-52(31-39-57)50-20-11-8-12-21-50/h7-48H,1-6H3.
What are the key properties of 9-[4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)phenyl]-N,N-bis(4-phenylphenyl)carbazol-2-amine?
9-[4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)phenyl]-N,N-bis(4-phenylphenyl)carbazol-2-amine has a molecular weight of 989.32 g/mol, XLogP of 20.19, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(2',7'-ditert-butyl-9,9'-spirobi[fluorene]-4-yl)phenyl]-N,N-bis(4-phenylphenyl)carbazol-2-amine is sourced from PubChem (CID 171418886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).