7-naphthalen-2-yl-N,12-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-10-amine

C65H42N2O — CID 170376943

IUPAC7-naphthalen-2-yl-N,12-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-10-amine
SMILESc1ccc(-c2c3c(cc4c2c2cc(N(c5ccccc5)c5ccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)cc5)ccc2n4-c2ccc4ccccc4c2)oc2ccccc23)cc1
InChIInChI=1S/C65H42N2O/c1-4-19-44(20-5-1)62-63-55-41-51(38-39-58(55)67(50-35-32-43-18-10-11-21-45(43)40-50)59(63)42-61-64(62)54-28-14-17-31-60(54)68-61)66(48-24-8-3-9-25-48)49-36-33-47(34-37-49)65(46-22-6-2-7-23-46)56-29-15-12-26-52(56)53-27-13-16-30-57(53)65/h1-42H
InChIKeyJWHQTUUDJVIFEL-UHFFFAOYSA-N
MW867.06 g/mol
LogP17.34
Rot. Bonds7

About 7-naphthalen-2-yl-N,12-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-10-amine

7-naphthalen-2-yl-N,12-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-10-amine (PubChem CID 170376943) has the molecular formula C65H42N2O and a molecular weight of 867.06 g/mol. Its IUPAC name is 7-naphthalen-2-yl-N,12-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-10-amine.

Molecular Properties

Compound Name7-naphthalen-2-yl-N,12-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-10-amine
PubChem CID170376943
Molecular FormulaC65H42N2O
Molecular Weight867.06 g/mol
Exact Mass866.33
IUPAC Name7-naphthalen-2-yl-N,12-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-10-amine
SMILESc1ccc(-c2c3c(cc4c2c2cc(N(c5ccccc5)c5ccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)cc5)ccc2n4-c2ccc4ccccc4c2)oc2ccccc23)cc1
InChIInChI=1S/C65H42N2O/c1-4-19-44(20-5-1)62-63-55-41-51(38-39-58(55)67(50-35-32-43-18-10-11-21-45(43)40-50)59(63)42-61-64(62)54-28-14-17-31-60(54)68-61)66(48-24-8-3-9-25-48)49-36-33-47(34-37-49)65(46-22-6-2-7-23-46)56-29-15-12-26-52(56)53-27-13-16-30-57(53)65/h1-42H
InChIKeyJWHQTUUDJVIFEL-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,7,12-triphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-10-amine
CID 170376671
12-naphthalen-2-yl-N,7-diphenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-b]carbazol-10-amine
CID 170377401
N,12-diphenyl-7-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-b]carbazol-10-amine
CID 170377110
N-naphtho[2,1-b][1]benzofuran-10-yl-9-phenyl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-3-amine
CID 167334161
N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 71175459
N-[4-(10-naphthalen-2-yl-12-phenyl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-3-amine
CID 170369705
7-naphthalen-2-yl-N,N,12-triphenyl-[1]benzofuro[3,2-h]carbazol-8-amine
CID 170376840
7-phenanthren-9-yl-N,N,12-triphenyl-[1]benzofuro[2,3-b]carbazol-10-amine
CID 170377031
N-(9,9-diphenylfluoren-4-yl)-7-naphthalen-1-yl-N,12-diphenyl-[1]benzofuro[3,2-h]carbazol-8-amine
CID 170376711
17-carbazol-9-yl-N-(9,9-diphenylfluoren-2-yl)-N-phenylpentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaen-6-amine
CID 166032529
N-[4-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-9,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-[3-(9-naphthalen-2-ylcarbazol-3-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)-9,9-diphenylfluoren-2-amine;N-(4-naphthalen-2-ylphenyl)-9,9-diphenyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine
CID 161161453
9-naphthalen-2-yl-N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
CID 59782759

Frequently Asked Questions

What is the IUPAC name of 7-naphthalen-2-yl-N,12-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-10-amine?
The IUPAC name of 7-naphthalen-2-yl-N,12-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-10-amine (CID 170376943) is 7-naphthalen-2-yl-N,12-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-10-amine.
What is the SMILES notation for 7-naphthalen-2-yl-N,12-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-10-amine?
The canonical SMILES for 7-naphthalen-2-yl-N,12-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-10-amine is c1ccc(-c2c3c(cc4c2c2cc(N(c5ccccc5)c5ccc(C6(c7ccccc7)c7ccccc7-c7ccccc76)cc5)ccc2n4-c2ccc4ccccc4c2)oc2ccccc23)cc1.
What is the InChIKey of 7-naphthalen-2-yl-N,12-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-10-amine?
The InChIKey is JWHQTUUDJVIFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H42N2O/c1-4-19-44(20-5-1)62-63-55-41-51(38-39-58(55)67(50-35-32-43-18-10-11-21-45(43)40-50)59(63)42-61-64(62)54-28-14-17-31-60(54)68-61)66(48-24-8-3-9-25-48)49-36-33-47(34-37-49)65(46-22-6-2-7-23-46)56-29-15-12-26-52(56)53-27-13-16-30-57(53)65/h1-42H.
What are the key properties of 7-naphthalen-2-yl-N,12-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-10-amine?
7-naphthalen-2-yl-N,12-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-10-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 7-naphthalen-2-yl-N,12-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-10-amine is sourced from PubChem (CID 170376943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).