N-(9,9-diphenylfluoren-4-yl)-7-naphthalen-1-yl-N,12-diphenyl-[1]benzofuro[3,2-h]carbazol-8-amine

C65H42N2O — CID 170376711

IUPACN-(9,9-diphenylfluoren-4-yl)-7-naphthalen-1-yl-N,12-diphenyl-[1]benzofuro[3,2-h]carbazol-8-amine
SMILESc1ccc(-c2c3c(cc4c2c2cccc(N(c5ccccc5)c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)c2n4-c2cccc4ccccc24)oc2ccccc23)cc1
InChIInChI=1S/C65H42N2O/c1-5-23-44(24-6-1)60-62-51-35-20-40-56(64(51)67(54-38-19-25-43-22-13-14-32-48(43)54)57(62)42-59-63(60)50-34-16-18-41-58(50)68-59)66(47-30-11-4-12-31-47)55-39-21-37-53-61(55)49-33-15-17-36-52(49)65(53,45-26-7-2-8-27-45)46-28-9-3-10-29-46/h1-42H
InChIKeyJVHCXWJYWHHIHV-UHFFFAOYSA-N
MW867.06 g/mol
LogP17.34
Rot. Bonds7

About N-(9,9-diphenylfluoren-4-yl)-7-naphthalen-1-yl-N,12-diphenyl-[1]benzofuro[3,2-h]carbazol-8-amine

N-(9,9-diphenylfluoren-4-yl)-7-naphthalen-1-yl-N,12-diphenyl-[1]benzofuro[3,2-h]carbazol-8-amine (PubChem CID 170376711) has the molecular formula C65H42N2O and a molecular weight of 867.06 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-4-yl)-7-naphthalen-1-yl-N,12-diphenyl-[1]benzofuro[3,2-h]carbazol-8-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-4-yl)-7-naphthalen-1-yl-N,12-diphenyl-[1]benzofuro[3,2-h]carbazol-8-amine
PubChem CID170376711
Molecular FormulaC65H42N2O
Molecular Weight867.06 g/mol
Exact Mass866.33
IUPAC NameN-(9,9-diphenylfluoren-4-yl)-7-naphthalen-1-yl-N,12-diphenyl-[1]benzofuro[3,2-h]carbazol-8-amine
SMILESc1ccc(-c2c3c(cc4c2c2cccc(N(c5ccccc5)c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)c2n4-c2cccc4ccccc24)oc2ccccc23)cc1
InChIInChI=1S/C65H42N2O/c1-5-23-44(24-6-1)60-62-51-35-20-40-56(64(51)67(54-38-19-25-43-22-13-14-32-48(43)54)57(62)42-59-63(60)50-34-16-18-41-58(50)68-59)66(47-30-11-4-12-31-47)55-39-21-37-53-61(55)49-33-15-17-36-52(49)65(53,45-26-7-2-8-27-45)46-28-9-3-10-29-46/h1-42H
InChIKeyJVHCXWJYWHHIHV-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,12-diphenyl-7-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-b]carbazol-10-amine
CID 170377110
N-(9,9-diphenylfluoren-4-yl)-N-methyl-12-phenanthren-9-yl-7-phenyl-[1]benzofuro[3,2-h]carbazol-8-amine
CID 170377420
N-(9,9-diphenylfluoren-4-yl)-N-(4-naphthalen-2-ylphenyl)dibenzofuran-1-amine
CID 172544755
N,7,12-triphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-10-amine
CID 170376671
7-naphthalen-2-yl-N,12-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-10-amine
CID 170376943
1-N-dibenzofuran-1-yl-2-N-(9,9-diphenylfluoren-4-yl)-1-N-phenyl-2-N-[3-(9-phenylfluoren-9-yl)phenyl]benzene-1,2-diamine
CID 155096765
N-(9,9-diphenylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-2-amine
CID 170119695
N-(9,9-diphenylfluoren-4-yl)-N,5-diphenylnaphtho[2,1-b][1]benzofuran-10-amine
CID 176808426
N-(2-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine;N-(2-dibenzofuran-1-ylphenyl)-N-[4-(4-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 157466477
N-(4-dibenzofuran-1-ylphenyl)-N-(3-naphtho[1,2-b][1]benzofuran-7-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 166939309
N-(2-dibenzofuran-1-ylphenyl)-2-(9,9-diphenylfluoren-4-yl)-N-[4-(4-naphthalen-1-ylphenyl)phenyl]aniline
CID 157325152
N-(9,9-diphenylfluoren-4-yl)-N-[2-[2-(2-phenylphenyl)phenyl]phenyl]dibenzofuran-1-amine
CID 170119694

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-4-yl)-7-naphthalen-1-yl-N,12-diphenyl-[1]benzofuro[3,2-h]carbazol-8-amine?
The IUPAC name of N-(9,9-diphenylfluoren-4-yl)-7-naphthalen-1-yl-N,12-diphenyl-[1]benzofuro[3,2-h]carbazol-8-amine (CID 170376711) is N-(9,9-diphenylfluoren-4-yl)-7-naphthalen-1-yl-N,12-diphenyl-[1]benzofuro[3,2-h]carbazol-8-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-4-yl)-7-naphthalen-1-yl-N,12-diphenyl-[1]benzofuro[3,2-h]carbazol-8-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-4-yl)-7-naphthalen-1-yl-N,12-diphenyl-[1]benzofuro[3,2-h]carbazol-8-amine is c1ccc(-c2c3c(cc4c2c2cccc(N(c5ccccc5)c5cccc6c5-c5ccccc5C6(c5ccccc5)c5ccccc5)c2n4-c2cccc4ccccc24)oc2ccccc23)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-4-yl)-7-naphthalen-1-yl-N,12-diphenyl-[1]benzofuro[3,2-h]carbazol-8-amine?
The InChIKey is JVHCXWJYWHHIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H42N2O/c1-5-23-44(24-6-1)60-62-51-35-20-40-56(64(51)67(54-38-19-25-43-22-13-14-32-48(43)54)57(62)42-59-63(60)50-34-16-18-41-58(50)68-59)66(47-30-11-4-12-31-47)55-39-21-37-53-61(55)49-33-15-17-36-52(49)65(53,45-26-7-2-8-27-45)46-28-9-3-10-29-46/h1-42H.
What are the key properties of N-(9,9-diphenylfluoren-4-yl)-7-naphthalen-1-yl-N,12-diphenyl-[1]benzofuro[3,2-h]carbazol-8-amine?
N-(9,9-diphenylfluoren-4-yl)-7-naphthalen-1-yl-N,12-diphenyl-[1]benzofuro[3,2-h]carbazol-8-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-4-yl)-7-naphthalen-1-yl-N,12-diphenyl-[1]benzofuro[3,2-h]carbazol-8-amine is sourced from PubChem (CID 170376711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).