N-phenyl-N-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]dibenzofuran-3-amine

C49H31NOS — CID 163626827

IUPACN-phenyl-N-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]dibenzofuran-3-amine
SMILESc1ccc(N(c2ccc3c(c2)oc2ccccc23)c2cccc3sc4cc(C5(c6ccccc6)c6ccccc6-c6ccccc65)ccc4c23)cc1
InChIInChI=1S/C49H31NOS/c1-3-14-32(15-4-1)49(41-21-10-7-18-36(41)37-19-8-11-22-42(37)49)33-26-28-40-47(30-33)52-46-25-13-23-43(48(40)46)50(34-16-5-2-6-17-34)35-27-29-39-38-20-9-12-24-44(38)51-45(39)31-35/h1-31H
InChIKeyLCMXREANLQBPCC-UHFFFAOYSA-N
MW681.86 g/mol
LogP13.79
Rot. Bonds5

About N-phenyl-N-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]dibenzofuran-3-amine

N-phenyl-N-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]dibenzofuran-3-amine (PubChem CID 163626827) has the molecular formula C49H31NOS and a molecular weight of 681.86 g/mol. Its IUPAC name is N-phenyl-N-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-phenyl-N-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]dibenzofuran-3-amine
PubChem CID163626827
Molecular FormulaC49H31NOS
Molecular Weight681.86 g/mol
Exact Mass681.21
IUPAC NameN-phenyl-N-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]dibenzofuran-3-amine
SMILESc1ccc(N(c2ccc3c(c2)oc2ccccc23)c2cccc3sc4cc(C5(c6ccccc6)c6ccccc6-c6ccccc65)ccc4c23)cc1
InChIInChI=1S/C49H31NOS/c1-3-14-32(15-4-1)49(41-21-10-7-18-36(41)37-19-8-11-22-42(37)49)33-26-28-40-47(30-33)52-46-25-13-23-43(48(40)46)50(34-16-5-2-6-17-34)35-27-29-39-38-20-9-12-24-44(38)51-45(39)31-35/h1-31H
InChIKeyLCMXREANLQBPCC-UHFFFAOYSA-N
XLogP13.79
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.86
LogP ≤ 513.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzothiophen-1-yl-N-(9,9-diphenylfluoren-4-yl)dibenzofuran-3-amine
CID 121424663
7-(9-phenylfluoren-9-yl)-N,N-bis(4-phenylphenyl)dibenzothiophen-1-amine
CID 163485667
N,N-diphenyl-2-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]aniline;N-phenyl-2-[7-(9-phenylfluoren-9-yl)dibenzofuran-1-yl]-N-(4-phenylphenyl)aniline;N-phenyl-2-[7-(9-phenylfluoren-9-yl)dibenzofuran-4-yl]-N-(4-phenylphenyl)aniline
CID 163967774
N-dibenzofuran-3-yl-7-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine
CID 163940771
N-dibenzofuran-3-yl-7-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-2-amine;N-[7-(9-phenylfluoren-9-yl)dibenzothiophen-3-yl]-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 163987640
N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-1-amine
CID 176605585
8-N,22-N-di(dibenzothiophen-4-yl)-8-N,22-N-bis[3-(9-phenylfluoren-9-yl)phenyl]-5,15,25-trioxaheptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaene-8,22-diamine
CID 170235198
N,N-diphenyl-4-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-1-yl]phenyl]aniline;N,N-diphenyl-4-[3-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]phenyl]aniline;3-phenyl-N-[3-[7-(9-phenylfluoren-9-yl)dibenzofuran-1-yl]phenyl]-N-(4-phenylphenyl)aniline
CID 163508412
N-(9,9-dimethylfluoren-2-yl)-8-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-1-amine;N-[8-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]-N-(3-phenylphenyl)dibenzofuran-3-amine;N-[8-(9-phenylfluoren-9-yl)dibenzothiophen-2-yl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 163965802
N-dibenzofuran-3-yl-N-(9,9-diphenylfluoren-2-yl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine;N-(9,9-diphenylfluoren-4-yl)-N-phenyl-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine;N-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine;N-phenyl-N-(9,9'-spirobi[fluorene]-4-yl)-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14(19),15,17-nonaen-18-amine
CID 165039173
N-[4-(4-phenylphenyl)phenyl]-N-[9-phenyl-9-(4-phenylphenyl)fluoren-2-yl]dibenzofuran-3-amine;7-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[9-phenyl-9-(3-phenylphenyl)fluoren-2-yl]dibenzothiophen-3-amine;9-phenyl-9-(3-phenylphenyl)-N-(4-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 163854265
1-N-dibenzofuran-3-yl-7-N,7-N-diphenyl-1-N-(4-phenylphenyl)dibenzothiophene-1,7-diamine
CID 146574153

Frequently Asked Questions

What is the IUPAC name of N-phenyl-N-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]dibenzofuran-3-amine?
The IUPAC name of N-phenyl-N-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]dibenzofuran-3-amine (CID 163626827) is N-phenyl-N-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]dibenzofuran-3-amine.
What is the SMILES notation for N-phenyl-N-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]dibenzofuran-3-amine?
The canonical SMILES for N-phenyl-N-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]dibenzofuran-3-amine is c1ccc(N(c2ccc3c(c2)oc2ccccc23)c2cccc3sc4cc(C5(c6ccccc6)c6ccccc6-c6ccccc65)ccc4c23)cc1.
What is the InChIKey of N-phenyl-N-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]dibenzofuran-3-amine?
The InChIKey is LCMXREANLQBPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31NOS/c1-3-14-32(15-4-1)49(41-21-10-7-18-36(41)37-19-8-11-22-42(37)49)33-26-28-40-47(30-33)52-46-25-13-23-43(48(40)46)50(34-16-5-2-6-17-34)35-27-29-39-38-20-9-12-24-44(38)51-45(39)31-35/h1-31H.
What are the key properties of N-phenyl-N-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]dibenzofuran-3-amine?
N-phenyl-N-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]dibenzofuran-3-amine has a molecular weight of 681.86 g/mol, XLogP of 13.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-N-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]dibenzofuran-3-amine is sourced from PubChem (CID 163626827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).