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

C61H40N2O — CID 170376671

IUPACN,7,12-triphenyl-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-c2ccccc2)oc2ccccc23)cc1
InChIInChI=1S/C61H40N2O/c1-5-19-41(20-6-1)58-59-51-39-47(37-38-54(51)63(45-25-11-4-12-26-45)55(59)40-57-60(58)50-29-15-18-32-56(50)64-57)62(44-23-9-3-10-24-44)46-35-33-43(34-36-46)61(42-21-7-2-8-22-42)52-30-16-13-27-48(52)49-28-14-17-31-53(49)61/h1-40H
InChIKeyLWLXTCOCHNWFAI-UHFFFAOYSA-N
MW817.00 g/mol
LogP16.18
Rot. Bonds7

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

N,7,12-triphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-10-amine (PubChem CID 170376671) has the molecular formula C61H40N2O and a molecular weight of 817.00 g/mol. Its IUPAC name is N,7,12-triphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-10-amine.

Molecular Properties

Compound NameN,7,12-triphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-10-amine
PubChem CID170376671
Molecular FormulaC61H40N2O
Molecular Weight817.00 g/mol
Exact Mass816.31
IUPAC NameN,7,12-triphenyl-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-c2ccccc2)oc2ccccc23)cc1
InChIInChI=1S/C61H40N2O/c1-5-19-41(20-6-1)58-59-51-39-47(37-38-54(51)63(45-25-11-4-12-26-45)55(59)40-57-60(58)50-29-15-18-32-56(50)64-57)62(44-23-9-3-10-24-44)46-35-33-43(34-36-46)61(42-21-7-2-8-22-42)52-30-16-13-27-48(52)49-28-14-17-31-53(49)61/h1-40H
InChIKeyLWLXTCOCHNWFAI-UHFFFAOYSA-N
XLogP16.18
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500817.00
LogP ≤ 516.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,7,12-triphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-10-amine with MolForge

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Related Compounds

7-naphthalen-2-yl-N,12-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-10-amine
CID 170376943
N,12-diphenyl-7-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)-[1]benzofuro[2,3-b]carbazol-10-amine
CID 170377110
12-naphthalen-2-yl-N,7-diphenyl-N-(4-phenylphenyl)-[1]benzofuro[2,3-b]carbazol-10-amine
CID 170377401
N-naphtho[2,1-b][1]benzofuran-10-yl-9-phenyl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)carbazol-3-amine
CID 167334161
9-phenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-N-[4-(4-phenylphenyl)phenyl]carbazol-3-amine
CID 129264403
N-dibenzofuran-3-yl-9-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]carbazol-3-amine
CID 129264393
N-(9,9-diphenylfluoren-2-yl)-N-[4-[3-[3-(9-phenylcarbazol-3-yl)phenyl]phenyl]phenyl]dibenzofuran-2-amine
CID 89426453
9-phenyl-6-(9-phenylfluoren-9-yl)-N-(3-phenylphenyl)-N-(4-phenylphenyl)carbazol-3-amine
CID 167214978
N-[9-(4-dibenzofuran-4-ylphenyl)-9-phenylfluoren-2-yl]-9-phenyl-N-(4-phenylphenyl)carbazol-3-amine
CID 164769090
4-(7,12-diphenyl-[1]benzofuro[2,3-b]carbazol-9-yl)-N,N-diphenylaniline
CID 170376628
N-(4-phenanthren-9-ylphenyl)-N,7,12-triphenyl-[1]benzofuro[2,3-b]carbazol-9-amine
CID 170376619
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-dibenzofuran-1-ylphenyl)-9,9-diphenylfluoren-3-amine
CID 121424967

Frequently Asked Questions

What is the IUPAC name of N,7,12-triphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-10-amine?
The IUPAC name of N,7,12-triphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-10-amine (CID 170376671) is N,7,12-triphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-10-amine.
What is the SMILES notation for N,7,12-triphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-10-amine?
The canonical SMILES for N,7,12-triphenyl-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-c2ccccc2)oc2ccccc23)cc1.
What is the InChIKey of N,7,12-triphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-10-amine?
The InChIKey is LWLXTCOCHNWFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40N2O/c1-5-19-41(20-6-1)58-59-51-39-47(37-38-54(51)63(45-25-11-4-12-26-45)55(59)40-57-60(58)50-29-15-18-32-56(50)64-57)62(44-23-9-3-10-24-44)46-35-33-43(34-36-46)61(42-21-7-2-8-22-42)52-30-16-13-27-48(52)49-28-14-17-31-53(49)61/h1-40H.
What are the key properties of N,7,12-triphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-10-amine?
N,7,12-triphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-10-amine has a molecular weight of 817.00 g/mol, XLogP of 16.18, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,7,12-triphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]-[1]benzofuro[2,3-b]carbazol-10-amine is sourced from PubChem (CID 170376671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).