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

C57H38N2OS — CID 170368951

IUPACN-[4-(12-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-n4c5ccccc5c5c(-c6ccc7sc8ccccc8c7c6)c6c(cc54)oc4ccccc46)cc3)cc21
InChIInChI=1S/C57H38N2OS/c1-57(2)46-20-10-6-16-40(46)41-30-29-39(33-47(41)57)58(36-14-4-3-5-15-36)37-25-27-38(28-26-37)59-48-21-11-7-18-43(48)55-49(59)34-51-56(44-19-8-12-22-50(44)60-51)54(55)35-24-31-53-45(32-35)42-17-9-13-23-52(42)61-53/h3-34H,1-2H3
InChIKeyVEERXFJHPYIPLT-UHFFFAOYSA-N
MW799.01 g/mol
LogP16.49
Rot. Bonds5

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

N-[4-(12-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine (PubChem CID 170368951) has the molecular formula C57H38N2OS and a molecular weight of 799.01 g/mol. Its IUPAC name is N-[4-(12-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine.

Molecular Properties

Compound NameN-[4-(12-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
PubChem CID170368951
Molecular FormulaC57H38N2OS
Molecular Weight799.01 g/mol
Exact Mass798.27
IUPAC NameN-[4-(12-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-n4c5ccccc5c5c(-c6ccc7sc8ccccc8c7c6)c6c(cc54)oc4ccccc46)cc3)cc21
InChIInChI=1S/C57H38N2OS/c1-57(2)46-20-10-6-16-40(46)41-30-29-39(33-47(41)57)58(36-14-4-3-5-15-36)37-25-27-38(28-26-37)59-48-21-11-7-18-43(48)55-49(59)34-51-56(44-19-8-12-22-50(44)60-51)54(55)35-24-31-53-45(32-35)42-17-9-13-23-52(42)61-53/h3-34H,1-2H3
InChIKeyVEERXFJHPYIPLT-UHFFFAOYSA-N
XLogP16.49
TPSA21.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500799.01
LogP ≤ 516.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(12-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazol-7-yl)-N,N-diphenylaniline
CID 170368945
N-[4-(12-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-N-phenyldibenzothiophen-3-amine
CID 170368958
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]fluoren-2-amine;N-(9,9-dimethylfluoren-2-yl)-N-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]dibenzothiophen-2-amine
CID 158402142
7-deuterio-N-[4-[4-(8-deuteriodibenzofuran-2-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;7-deuterio-N-[4-[4-(8-deuteriodibenzothiophen-2-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;7-deuterio-N-[4-[4-(6-deuterio-9-phenylcarbazol-3-yl)phenyl]phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-(8-deuteriodibenzofuran-2-yl)phenyl]phenyl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine;7-deuterio-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;N-[4-[4-(8-deuteriodibenzothiophen-2-yl)phenyl]phenyl]-9,9-dimethyl-N,7-diphenylfluoren-2-amine;7-deuterio-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;7-deuterio-9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 160500090
9,9-dimethyl-N-[4-(9-oxa-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-14-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 118405419
N-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-(4-carbazol-9-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine
CID 162233532
4-(5-dibenzothiophen-2-ylbenzo[b]carbazol-2-yl)-N-(9,9-dimethylfluoren-2-yl)-N-phenyldibenzofuran-2-amine
CID 122462728
N-dibenzothiophen-3-yl-N,12-diphenyl-7-(4-phenylphenyl)-[1]benzofuro[2,3-b]carbazol-9-amine
CID 170377101
N-(4-dibenzofuran-1-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-2-[9,9-dimethyl-7-(9-phenylcarbazol-4-yl)fluoren-3-yl]aniline
CID 168839903
7-carbazol-9-yl-N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;7-carbazol-9-yl-N-(4-dibenzofuran-2-ylphenyl)-N-[4-(3,5-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 159213224
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-8-(9-phenylcarbazol-3-yl)dibenzothiophen-1-amine
CID 166003188
N-[4-(4-carbazol-9-ylphenyl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine;N-[4-(4-carbazol-9-ylphenyl)phenyl]-3-phenyl-N-(3-phenylphenyl)aniline;N-[4-[4-(N-dibenzothiophen-3-ylanilino)phenyl]phenyl]-N-phenyldibenzothiophen-3-amine;2-N,8-N-dinaphthalen-1-yl-2-N,8-N-diphenyldibenzothiophene-2,8-diamine;N-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 158464219

Frequently Asked Questions

What is the IUPAC name of N-[4-(12-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
The IUPAC name of N-[4-(12-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine (CID 170368951) is N-[4-(12-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine.
What is the SMILES notation for N-[4-(12-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
The canonical SMILES for N-[4-(12-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-n4c5ccccc5c5c(-c6ccc7sc8ccccc8c7c6)c6c(cc54)oc4ccccc46)cc3)cc21.
What is the InChIKey of N-[4-(12-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
The InChIKey is VEERXFJHPYIPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H38N2OS/c1-57(2)46-20-10-6-16-40(46)41-30-29-39(33-47(41)57)58(36-14-4-3-5-15-36)37-25-27-38(28-26-37)59-48-21-11-7-18-43(48)55-49(59)34-51-56(44-19-8-12-22-50(44)60-51)54(55)35-24-31-53-45(32-35)42-17-9-13-23-52(42)61-53/h3-34H,1-2H3.
What are the key properties of N-[4-(12-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine?
N-[4-(12-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine has a molecular weight of 799.01 g/mol, XLogP of 16.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(12-dibenzothiophen-2-yl-[1]benzofuro[2,3-b]carbazol-7-yl)phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine is sourced from PubChem (CID 170368951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).