N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-3-amine

C65H42N2O — CID 167277021

IUPACN-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-3-amine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5ccc6c(ccc7c8ccccc8oc67)c5)cc4)ccc32)cc1
InChIInChI=1S/C65H42N2O/c1-4-16-46(17-5-1)65(47-18-6-2-7-19-47)59-25-13-10-22-53(59)54-38-35-51(42-60(54)65)66(50-34-37-52-45(40-50)30-36-57-56-24-12-15-27-63(56)68-64(52)57)49-32-28-43(29-33-49)44-31-39-62-58(41-44)55-23-11-14-26-61(55)67(62)48-20-8-3-9-21-48/h1-42H
InChIKeyTVDVLPHVBSJCCA-UHFFFAOYSA-N
MW867.06 g/mol
LogP17.34
Rot. Bonds7

About N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-3-amine

N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-3-amine (PubChem CID 167277021) has the molecular formula C65H42N2O and a molecular weight of 867.06 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-3-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-3-amine
PubChem CID167277021
Molecular FormulaC65H42N2O
Molecular Weight867.06 g/mol
Exact Mass866.33
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-3-amine
SMILESc1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5ccc6c(ccc7c8ccccc8oc67)c5)cc4)ccc32)cc1
InChIInChI=1S/C65H42N2O/c1-4-16-46(17-5-1)65(47-18-6-2-7-19-47)59-25-13-10-22-53(59)54-38-35-51(42-60(54)65)66(50-34-37-52-45(40-50)30-36-57-56-24-12-15-27-63(56)68-64(52)57)49-32-28-43(29-33-49)44-31-39-62-58(41-44)55-23-11-14-26-61(55)67(62)48-20-8-3-9-21-48/h1-42H
InChIKeyTVDVLPHVBSJCCA-UHFFFAOYSA-N
XLogP17.34
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500867.06
LogP ≤ 517.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 164769090
N-(9,9-diphenylfluoren-2-yl)-N-[4-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 89426453
N-[9-(4-dibenzofuran-4-ylphenyl)-9-(4-phenylphenyl)fluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 154955024
N-(4-carbazol-9-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N,9,9-triphenyl-N-[4-(3-phenylcarbazol-9-yl)phenyl]fluoren-2-amine;N,9,9-triphenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 162125259
4-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-[4-[7-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-yl]phenyl]aniline
CID 164724630
4-(4-carbazol-9-ylphenyl)-N-[4-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]phenyl]-N-phenylaniline
CID 164769104
9,9-diphenyl-N-[4-[4-(9-phenylcarbazol-3-yl)naphthalen-1-yl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 89426449
9,9-diphenyl-N-[4-(9-phenylcarbazol-2-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 90124595
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-2-yl)naphtho[2,1-b][1]benzofuran-6-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(4-phenylphenyl)phenyl]naphtho[2,1-b][1]benzofuran-6-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-6-amine;N-(9,9-dimethylfluoren-3-yl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]naphtho[2,1-b][1]benzofuran-6-amine;N-(9,9-diphenylfluoren-2-yl)-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]naphtho[2,1-b][1]benzofuran-6-amine;N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(9,9'-spirobi[fluorene]-2-yl)naphtho[2,1-b][1]benzofuran-6-amine
CID 157461382
N-(4-carbazol-9-ylphenyl)-9,9-diphenyl-N-(2-phenylphenyl)fluoren-2-amine;N-(4-carbazol-9-ylphenyl)-N,9,9-triphenylfluoren-2-amine;N-(9,9-diphenylfluoren-2-yl)-N-(3-phenylphenyl)dibenzofuran-4-amine;N-(9,9-diphenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 164956746
9,9-diphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 118462477
N,9,9-triphenyl-N-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine
CID 90393562

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-3-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-3-amine (CID 167277021) is N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-3-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-3-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-3-amine is c1ccc(-n2c3ccccc3c3cc(-c4ccc(N(c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5ccccc5-6)c5ccc6c(ccc7c8ccccc8oc67)c5)cc4)ccc32)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-3-amine?
The InChIKey is TVDVLPHVBSJCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H42N2O/c1-4-16-46(17-5-1)65(47-18-6-2-7-19-47)59-25-13-10-22-53(59)54-38-35-51(42-60(54)65)66(50-34-37-52-45(40-50)30-36-57-56-24-12-15-27-63(56)68-64(52)57)49-32-28-43(29-33-49)44-31-39-62-58(41-44)55-23-11-14-26-61(55)67(62)48-20-8-3-9-21-48/h1-42H.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-3-amine?
N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-3-amine has a molecular weight of 867.06 g/mol, XLogP of 17.34, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-phenylcarbazol-3-yl)phenyl]naphtho[1,2-b][1]benzofuran-3-amine is sourced from PubChem (CID 167277021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).