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

C81H52N2O — CID 171418820

IUPAC9-[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
SMILESc1ccc(-c2cccc(C3(c4ccccc4)c4ccccc4-c4ccc(-c5ccccc5)c(-c5ccc(-n6c7ccccc7c7ccc(N(c8ccc9c(c8)oc8cc%10ccccc%10cc89)c8cccc9ccccc89)cc76)cc5)c43)c2)cc1
InChIInChI=1S/C81H52N2O/c1-4-20-53(21-5-1)57-28-18-31-61(48-57)81(60-29-8-3-9-30-60)73-35-16-14-33-67(73)71-47-46-66(55-22-6-2-7-23-55)79(80(71)81)56-38-40-62(41-39-56)83-75-36-17-15-34-68(75)69-44-42-63(51-76(69)83)82(74-37-19-27-54-24-12-13-32-65(54)74)64-43-45-70-72-49-58-25-10-11-26-59(58)50-77(72)84-78(70)52-64/h1-52H
InChIKeyJFJJMCDMDHUQLN-UHFFFAOYSA-N
MW1069.32 g/mol
LogP21.82
Rot. Bonds9

About 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

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 (PubChem CID 171418820) has the molecular formula C81H52N2O and a molecular weight of 1069.32 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[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
PubChem CID171418820
Molecular FormulaC81H52N2O
Molecular Weight1069.32 g/mol
Exact Mass1068.41
IUPAC Name9-[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
SMILESc1ccc(-c2cccc(C3(c4ccccc4)c4ccccc4-c4ccc(-c5ccccc5)c(-c5ccc(-n6c7ccccc7c7ccc(N(c8ccc9c(c8)oc8cc%10ccccc%10cc89)c8cccc9ccccc89)cc76)cc5)c43)c2)cc1
InChIInChI=1S/C81H52N2O/c1-4-20-53(21-5-1)57-28-18-31-61(48-57)81(60-29-8-3-9-30-60)73-35-16-14-33-67(73)71-47-46-66(55-22-6-2-7-23-55)79(80(71)81)56-38-40-62(41-39-56)83-75-36-17-15-34-68(75)69-44-42-63(51-76(69)83)82(74-37-19-27-54-24-12-13-32-65(54)74)64-43-45-70-72-49-58-25-10-11-26-59(58)50-77(72)84-78(70)52-64/h1-52H
InChIKeyJFJJMCDMDHUQLN-UHFFFAOYSA-N
XLogP21.82
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001069.32
LogP ≤ 521.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 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 with MolForge

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Related Compounds

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
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzofuran-3-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424440
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-[3-(9-naphthalen-2-ylcarbazol-2-yl)phenyl]-N,9,9-triphenylfluoren-2-amine;N-naphthalen-1-yl-9,9-diphenyl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]fluoren-2-amine;N-naphthalen-2-yl-9,9-diphenyl-N-[3-[9-(4-phenylphenyl)carbazol-2-yl]phenyl]fluoren-2-amine
CID 161145523
N-(9,9-diphenylfluoren-4-yl)-N-phenyl-8-(9-phenylcarbazol-3-yl)dibenzofuran-3-amine
CID 129180885
N-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)naphtho[1,2-b][1]benzofuran-9-amine
CID 167277095
N-naphthalen-1-yl-9,9-diphenyl-N-[3-[9-[3-(3-phenylphenyl)phenyl]carbazol-2-yl]phenyl]fluoren-2-amine;N-(4-phenylphenyl)-N-[3-[9-[4-(2-phenylphenyl)phenyl]carbazol-2-yl]phenyl]naphthalen-1-amine;3-phenyl-N-(3-phenylphenyl)-N-[3-[9-[3-(2-phenylphenyl)phenyl]carbazol-2-yl]phenyl]aniline
CID 158858798
N-(2',7'-diphenylspiro[fluorene-9,9'-xanthene]-2-yl)-N-naphthalen-1-yl-9-phenylcarbazol-2-amine
CID 170240687
N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-yl-11-(4-phenylphenyl)benzo[a]carbazol-9-amine
CID 166503673
N-naphthalen-1-yl-9,9-diphenyl-N-[4-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 90393429
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,N-diphenyl-4-[4'-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-4-yl]aniline;N,9-diphenyl-N-[4-(7,9,9-triphenylfluoren-4-yl)phenyl]carbazol-3-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-(4'-phenyl-9,9'-spirobi[fluorene]-2-yl)phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-(4-phenyl-9,9'-spirobi[fluorene]-4'-yl)phenyl]aniline;N-(4-phenylphenyl)-N-[4-(4'-phenyl-9,9'-spirobi[fluorene]-2-yl)phenyl]dibenzofuran-3-amine;N-phenyl-N-[4-(7,9,9-triphenylfluoren-4-yl)phenyl]dibenzofuran-2-amine
CID 160866255

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cccc(C3(c4ccccc4)c4ccccc4-c4ccc(-c5ccccc5)c(-c5ccc(-n6c7ccccc7c7ccc(N(c8ccc9c(c8)oc8cc%10ccccc%10cc89)c8cccc9ccccc89)cc76)cc5)c43)c2)cc1.
What is the InChIKey of 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?
The InChIKey is JFJJMCDMDHUQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H52N2O/c1-4-20-53(21-5-1)57-28-18-31-61(48-57)81(60-29-8-3-9-30-60)73-35-16-14-33-67(73)71-47-46-66(55-22-6-2-7-23-55)79(80(71)81)56-38-40-62(41-39-56)83-75-36-17-15-34-68(75)69-44-42-63(51-76(69)83)82(74-37-19-27-54-24-12-13-32-65(54)74)64-43-45-70-72-49-58-25-10-11-26-59(58)50-77(72)84-78(70)52-64/h1-52H.
What are the key properties of 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?
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 has a molecular weight of 1069.32 g/mol, XLogP of 21.82, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 171418820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).