N,7,7,12-tetraphenyl-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-3-amine

C61H41NO — CID 171402013

IUPACN,7,7,12-tetraphenyl-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-3-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)oc4cc6c(c(-c7ccccc7)c45)-c4ccccc4C6(c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C61H41NO/c1-6-18-42(19-7-1)43-30-32-44(33-31-43)45-34-36-50(37-35-45)62(49-26-14-5-15-27-49)51-38-39-53-56(40-51)63-57-41-55-59(58(60(53)57)46-20-8-2-9-21-46)52-28-16-17-29-54(52)61(55,47-22-10-3-11-23-47)48-24-12-4-13-25-48/h1-41H
InChIKeyDULKTDKOOJAZRZ-UHFFFAOYSA-N
MW804.01 g/mol
LogP16.42
Rot. Bonds8

About N,7,7,12-tetraphenyl-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-3-amine

N,7,7,12-tetraphenyl-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-3-amine (PubChem CID 171402013) has the molecular formula C61H41NO and a molecular weight of 804.01 g/mol. Its IUPAC name is N,7,7,12-tetraphenyl-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-3-amine.

Molecular Properties

Compound NameN,7,7,12-tetraphenyl-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-3-amine
PubChem CID171402013
Molecular FormulaC61H41NO
Molecular Weight804.01 g/mol
Exact Mass803.32
IUPAC NameN,7,7,12-tetraphenyl-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-3-amine
SMILESc1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)oc4cc6c(c(-c7ccccc7)c45)-c4ccccc4C6(c4ccccc4)c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C61H41NO/c1-6-18-42(19-7-1)43-30-32-44(33-31-43)45-34-36-50(37-35-45)62(49-26-14-5-15-27-49)51-38-39-53-56(40-51)63-57-41-55-59(58(60(53)57)46-20-8-2-9-21-46)52-28-16-17-29-54(52)61(55,47-22-10-3-11-23-47)48-24-12-4-13-25-48/h1-41H
InChIKeyDULKTDKOOJAZRZ-UHFFFAOYSA-N
XLogP16.42
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500804.01
LogP ≤ 516.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N,7,7,12-pentakis-phenylfluoreno[2,3-b][1]benzofuran-10-amine
CID 171401702
12'-phenyl-N,N-bis(4-phenylphenyl)spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-2'-amine
CID 171402026
N,12'-diphenyl-N-[4-(4-phenylphenyl)phenyl]spiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-10'-amine
CID 171401543
5-phenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)naphtho[2,1-b][1]benzofuran-9-amine
CID 176808325
N,N,12'-triphenylspiro[fluorene-9,7'-fluoreno[2,3-b][1]benzofuran]-10'-amine
CID 171401856
N,7-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-3-amine;N,7-diphenyl-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-3-amine;N,7-diphenyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-3-amine;N,7-diphenyl-N-[4-[4-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-3-amine
CID 163960848
N-(3-phenylphenyl)-N-(4-phenylphenyl)-7-[9-(3-phenylphenyl)fluoren-9-yl]dibenzofuran-3-amine
CID 163514817
N-phenyl-3-[9-(9-phenylfluoren-9-yl)dibenzofuran-3-yl]-N-(4-phenylphenyl)aniline
CID 163630205
N,N,5,10,10,12,12-heptakis-phenylindeno[2,1-b]fluoren-7-amine
CID 171401609
N-[3-(9-phenylfluoren-9-yl)phenyl]-N,1-bis(4-phenylphenyl)dibenzofuran-2-amine
CID 177281054
N-phenyl-7-[9-(3-phenylphenyl)fluoren-9-yl]-N-[3-(3-phenylphenyl)phenyl]dibenzofuran-3-amine
CID 163646447
N-(4-dibenzofuran-3-ylphenyl)-3-[4-(9,9-diphenylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 168840154

Frequently Asked Questions

What is the IUPAC name of N,7,7,12-tetraphenyl-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-3-amine?
The IUPAC name of N,7,7,12-tetraphenyl-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-3-amine (CID 171402013) is N,7,7,12-tetraphenyl-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-3-amine.
What is the SMILES notation for N,7,7,12-tetraphenyl-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-3-amine?
The canonical SMILES for N,7,7,12-tetraphenyl-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-3-amine is c1ccc(-c2ccc(-c3ccc(N(c4ccccc4)c4ccc5c(c4)oc4cc6c(c(-c7ccccc7)c45)-c4ccccc4C6(c4ccccc4)c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of N,7,7,12-tetraphenyl-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-3-amine?
The InChIKey is DULKTDKOOJAZRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H41NO/c1-6-18-42(19-7-1)43-30-32-44(33-31-43)45-34-36-50(37-35-45)62(49-26-14-5-15-27-49)51-38-39-53-56(40-51)63-57-41-55-59(58(60(53)57)46-20-8-2-9-21-46)52-28-16-17-29-54(52)61(55,47-22-10-3-11-23-47)48-24-12-4-13-25-48/h1-41H.
What are the key properties of N,7,7,12-tetraphenyl-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-3-amine?
N,7,7,12-tetraphenyl-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-3-amine has a molecular weight of 804.01 g/mol, XLogP of 16.42, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,7,7,12-tetraphenyl-N-[4-(4-phenylphenyl)phenyl]fluoreno[2,3-b][1]benzofuran-3-amine is sourced from PubChem (CID 171402013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).