9-[4-(2,2'-diphenyl-9,9'-spirobi[fluorene]-3'-yl)phenyl]-N-naphthalen-1-yl-N-naphtho[2,3-b][1]benzofuran-3-ylcarbazol-2-amine

C81H50N2O — CID 171418788

IUPAC9-[4-(2,2'-diphenyl-9,9'-spirobi[fluorene]-3'-yl)phenyl]-N-naphthalen-1-yl-N-naphtho[2,3-b][1]benzofuran-3-ylcarbazol-2-amine
SMILESc1ccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3cc(-c4ccc(-n5c6ccccc6c6ccc(N(c7ccc8c(c7)oc7cc9ccccc9cc78)c7cccc8ccccc78)cc65)cc4)c(-c4ccccc4)cc32)cc1
InChIInChI=1S/C81H50N2O/c1-3-18-51(19-4-1)57-36-41-64-62-27-11-14-30-72(62)81(74(64)45-57)73-31-15-12-28-63(73)70-49-68(69(50-75(70)81)53-20-5-2-6-21-53)54-34-37-58(38-35-54)83-77-32-16-13-29-65(77)66-42-39-59(47-78(66)83)82(76-33-17-25-52-22-9-10-26-61(52)76)60-40-43-67-71-44-55-23-7-8-24-56(55)46-79(71)84-80(67)48-60/h1-50H
InChIKeyKULWAKIDLZUHBP-UHFFFAOYSA-N
MW1067.30 g/mol
LogP21.80
Rot. Bonds7

About 9-[4-(2,2'-diphenyl-9,9'-spirobi[fluorene]-3'-yl)phenyl]-N-naphthalen-1-yl-N-naphtho[2,3-b][1]benzofuran-3-ylcarbazol-2-amine

9-[4-(2,2'-diphenyl-9,9'-spirobi[fluorene]-3'-yl)phenyl]-N-naphthalen-1-yl-N-naphtho[2,3-b][1]benzofuran-3-ylcarbazol-2-amine (PubChem CID 171418788) has the molecular formula C81H50N2O and a molecular weight of 1067.30 g/mol. Its IUPAC name is 9-[4-(2,2'-diphenyl-9,9'-spirobi[fluorene]-3'-yl)phenyl]-N-naphthalen-1-yl-N-naphtho[2,3-b][1]benzofuran-3-ylcarbazol-2-amine.

Molecular Properties

Compound Name9-[4-(2,2'-diphenyl-9,9'-spirobi[fluorene]-3'-yl)phenyl]-N-naphthalen-1-yl-N-naphtho[2,3-b][1]benzofuran-3-ylcarbazol-2-amine
PubChem CID171418788
Molecular FormulaC81H50N2O
Molecular Weight1067.30 g/mol
Exact Mass1066.39
IUPAC Name9-[4-(2,2'-diphenyl-9,9'-spirobi[fluorene]-3'-yl)phenyl]-N-naphthalen-1-yl-N-naphtho[2,3-b][1]benzofuran-3-ylcarbazol-2-amine
SMILESc1ccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3cc(-c4ccc(-n5c6ccccc6c6ccc(N(c7ccc8c(c7)oc7cc9ccccc9cc78)c7cccc8ccccc78)cc65)cc4)c(-c4ccccc4)cc32)cc1
InChIInChI=1S/C81H50N2O/c1-3-18-51(19-4-1)57-36-41-64-62-27-11-14-30-72(62)81(74(64)45-57)73-31-15-12-28-63(73)70-49-68(69(50-75(70)81)53-20-5-2-6-21-53)54-34-37-58(38-35-54)83-77-32-16-13-29-65(77)66-42-39-59(47-78(66)83)82(76-33-17-25-52-22-9-10-26-61(52)76)60-40-43-67-71-44-55-23-7-8-24-56(55)46-79(71)84-80(67)48-60/h1-50H
InChIKeyKULWAKIDLZUHBP-UHFFFAOYSA-N
XLogP21.80
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001067.30
LogP ≤ 521.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[4-[2,9-diphenyl-9-(3-phenylphenyl)fluoren-1-yl]phenyl]-N-naphthalen-1-yl-N-naphtho[2,3-b][1]benzofuran-3-ylcarbazol-2-amine
CID 171418820
N-(2',7'-diphenylspiro[fluorene-9,9'-xanthene]-2-yl)-N-naphthalen-1-yl-9-phenylcarbazol-2-amine
CID 170240687
N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 129085098
N-naphthalen-1-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-naphthalen-2-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-naphthalen-1-yl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 158340092
N-naphthalen-2-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine;N-naphthalen-2-yl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]-9,9'-spirobi[fluorene]-2-amine;N-phenyl-N-[3-[3-(9-phenylcarbazol-2-yl)phenyl]phenyl]dibenzofuran-3-amine;N-phenyl-N-[3-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]phenyl]dibenzofuran-3-amine
CID 157487069
N-naphthalen-1-yl-9-phenyl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3'-yl)carbazol-2-amine;N-naphthalen-1-yl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3'-yl)dibenzofuran-3-amine;N-naphthalen-1-yl-N-(9'-phenyl-7,7'-spirobi[benzo[a]phenalene]-3-yl)dibenzothiophen-3-amine
CID 165083383
N-(7,7-diphenylfluoreno[2,3-b][1]benzofuran-2-yl)-N,9-bis(4-phenylphenyl)carbazol-2-amine;N-(7,7-diphenylfluoreno[2,3-b][1]benzofuran-3-yl)-N,9-bis(4-phenylphenyl)carbazol-2-amine;N-(7,7-diphenylfluoreno[2,3-b][1]benzofuran-4-yl)-N,9-bis(4-phenylphenyl)carbazol-2-amine
CID 159482642
N-[4-(7-carbazol-9-yldibenzofuran-3-yl)phenyl]-9,9-dimethyl-N-naphthalen-1-ylfluoren-3-amine
CID 166002710
N-naphthalen-1-yl-N-(3'-naphthalen-2-ylspiro[fluorene-9,9'-xanthene]-2-yl)-9-phenylcarbazol-2-amine
CID 170240634
N-(4-naphthalen-1-ylphenyl)-4-phenyl-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]aniline;N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]dibenzofuran-3-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]naphthalen-1-amine
CID 158555584
N-[2-[4-(9-phenylcarbazol-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 118265779
N-(4-dibenzofuran-2-ylphenyl)-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-fluorene]-2'-amine;N-naphthalen-1-yl-N-[3-(4-spiro[benzo[b]fluorene-11,9'-fluorene]-1'-ylphenyl)phenyl]pyridin-3-amine;9-phenyl-N-(4-phenylphenyl)-N-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-ylcarbazol-3-amine
CID 161258656

Frequently Asked Questions

What is the IUPAC name of 9-[4-(2,2'-diphenyl-9,9'-spirobi[fluorene]-3'-yl)phenyl]-N-naphthalen-1-yl-N-naphtho[2,3-b][1]benzofuran-3-ylcarbazol-2-amine?
The IUPAC name of 9-[4-(2,2'-diphenyl-9,9'-spirobi[fluorene]-3'-yl)phenyl]-N-naphthalen-1-yl-N-naphtho[2,3-b][1]benzofuran-3-ylcarbazol-2-amine (CID 171418788) is 9-[4-(2,2'-diphenyl-9,9'-spirobi[fluorene]-3'-yl)phenyl]-N-naphthalen-1-yl-N-naphtho[2,3-b][1]benzofuran-3-ylcarbazol-2-amine.
What is the SMILES notation for 9-[4-(2,2'-diphenyl-9,9'-spirobi[fluorene]-3'-yl)phenyl]-N-naphthalen-1-yl-N-naphtho[2,3-b][1]benzofuran-3-ylcarbazol-2-amine?
The canonical SMILES for 9-[4-(2,2'-diphenyl-9,9'-spirobi[fluorene]-3'-yl)phenyl]-N-naphthalen-1-yl-N-naphtho[2,3-b][1]benzofuran-3-ylcarbazol-2-amine is c1ccc(-c2ccc3c(c2)C2(c4ccccc4-3)c3ccccc3-c3cc(-c4ccc(-n5c6ccccc6c6ccc(N(c7ccc8c(c7)oc7cc9ccccc9cc78)c7cccc8ccccc78)cc65)cc4)c(-c4ccccc4)cc32)cc1.
What is the InChIKey of 9-[4-(2,2'-diphenyl-9,9'-spirobi[fluorene]-3'-yl)phenyl]-N-naphthalen-1-yl-N-naphtho[2,3-b][1]benzofuran-3-ylcarbazol-2-amine?
The InChIKey is KULWAKIDLZUHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H50N2O/c1-3-18-51(19-4-1)57-36-41-64-62-27-11-14-30-72(62)81(74(64)45-57)73-31-15-12-28-63(73)70-49-68(69(50-75(70)81)53-20-5-2-6-21-53)54-34-37-58(38-35-54)83-77-32-16-13-29-65(77)66-42-39-59(47-78(66)83)82(76-33-17-25-52-22-9-10-26-61(52)76)60-40-43-67-71-44-55-23-7-8-24-56(55)46-79(71)84-80(67)48-60/h1-50H.
What are the key properties of 9-[4-(2,2'-diphenyl-9,9'-spirobi[fluorene]-3'-yl)phenyl]-N-naphthalen-1-yl-N-naphtho[2,3-b][1]benzofuran-3-ylcarbazol-2-amine?
9-[4-(2,2'-diphenyl-9,9'-spirobi[fluorene]-3'-yl)phenyl]-N-naphthalen-1-yl-N-naphtho[2,3-b][1]benzofuran-3-ylcarbazol-2-amine has a molecular weight of 1067.30 g/mol, XLogP of 21.80, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(2,2'-diphenyl-9,9'-spirobi[fluorene]-3'-yl)phenyl]-N-naphthalen-1-yl-N-naphtho[2,3-b][1]benzofuran-3-ylcarbazol-2-amine is sourced from PubChem (CID 171418788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).