N-dibenzothiophen-1-yl-N-(9,9-diphenylfluoren-4-yl)dibenzofuran-3-amine

C49H31NOS — CID 121424663

IUPACN-dibenzothiophen-1-yl-N-(9,9-diphenylfluoren-4-yl)dibenzofuran-3-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc5c(c4)oc4ccccc45)c4cccc5sc6ccccc6c45)cccc32)cc1
InChIInChI=1S/C49H31NOS/c1-3-15-32(16-4-1)49(33-17-5-2-6-18-33)39-22-10-7-20-37(39)47-40(49)23-13-24-41(47)50(34-29-30-36-35-19-8-11-26-43(35)51-44(36)31-34)42-25-14-28-46-48(42)38-21-9-12-27-45(38)52-46/h1-31H
InChIKeyNIPNZYQTTXSONS-UHFFFAOYSA-N
MW681.86 g/mol
LogP13.79
Rot. Bonds5

About N-dibenzothiophen-1-yl-N-(9,9-diphenylfluoren-4-yl)dibenzofuran-3-amine

N-dibenzothiophen-1-yl-N-(9,9-diphenylfluoren-4-yl)dibenzofuran-3-amine (PubChem CID 121424663) has the molecular formula C49H31NOS and a molecular weight of 681.86 g/mol. Its IUPAC name is N-dibenzothiophen-1-yl-N-(9,9-diphenylfluoren-4-yl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-dibenzothiophen-1-yl-N-(9,9-diphenylfluoren-4-yl)dibenzofuran-3-amine
PubChem CID121424663
Molecular FormulaC49H31NOS
Molecular Weight681.86 g/mol
Exact Mass681.21
IUPAC NameN-dibenzothiophen-1-yl-N-(9,9-diphenylfluoren-4-yl)dibenzofuran-3-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc5c(c4)oc4ccccc45)c4cccc5sc6ccccc6c45)cccc32)cc1
InChIInChI=1S/C49H31NOS/c1-3-15-32(16-4-1)49(33-17-5-2-6-18-33)39-22-10-7-20-37(39)47-40(49)23-13-24-41(47)50(34-29-30-36-35-19-8-11-26-43(35)51-44(36)31-34)42-25-14-28-46-48(42)38-21-9-12-27-45(38)52-46/h1-31H
InChIKeyNIPNZYQTTXSONS-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-(4-dibenzofuran-4-ylphenyl)-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-1-amine
CID 138484712
N-dibenzothiophen-3-yl-N-(9,9-diphenylfluoren-4-yl)dibenzofuran-4-amine
CID 121424656
N-phenyl-N-[7-(9-phenylfluoren-9-yl)dibenzothiophen-1-yl]dibenzofuran-3-amine
CID 163626827
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-(9,9'-spirobi[fluorene]-4-yl)-N-(2,3,4,5-tetradeuterio-6-dibenzothiophen-1-ylphenyl)dibenzofuran-3-amine
CID 176583218
N-dibenzothiophen-2-yl-N-(9,9-diphenylfluoren-4-yl)dibenzofuran-4-amine
CID 121424296
N-(4-dibenzofuran-3-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-4-amine
CID 121424451
N-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424485
N-(9,9-diphenylfluoren-2-yl)-N-phenyl-20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-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),3,5,7,11,14,16,18-nonaen-4-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),3,5,7,11,14,16,18-nonaen-4-amine
CID 164965563
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-(4-dibenzothiophen-1-ylphenyl)-9,9-diphenylfluoren-4-amine
CID 121424479
N-dibenzothiophen-2-yl-7-[4-[4-[dibenzothiophen-1-yl(dibenzothiophen-2-yl)amino]-9-phenylfluoren-9-yl]phenyl]-N-(9,9-diphenylfluoren-4-yl)dibenzothiophen-3-amine
CID 163963486
N-(9,9'-spirobi[fluorene]-4-yl)-N-(2,3,4,5-tetradeuterio-6-dibenzothiophen-1-ylphenyl)dibenzofuran-2-amine
CID 176583237

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-1-yl-N-(9,9-diphenylfluoren-4-yl)dibenzofuran-3-amine?
The IUPAC name of N-dibenzothiophen-1-yl-N-(9,9-diphenylfluoren-4-yl)dibenzofuran-3-amine (CID 121424663) is N-dibenzothiophen-1-yl-N-(9,9-diphenylfluoren-4-yl)dibenzofuran-3-amine.
What is the SMILES notation for N-dibenzothiophen-1-yl-N-(9,9-diphenylfluoren-4-yl)dibenzofuran-3-amine?
The canonical SMILES for N-dibenzothiophen-1-yl-N-(9,9-diphenylfluoren-4-yl)dibenzofuran-3-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3c(N(c4ccc5c(c4)oc4ccccc45)c4cccc5sc6ccccc6c45)cccc32)cc1.
What is the InChIKey of N-dibenzothiophen-1-yl-N-(9,9-diphenylfluoren-4-yl)dibenzofuran-3-amine?
The InChIKey is NIPNZYQTTXSONS-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H31NOS/c1-3-15-32(16-4-1)49(33-17-5-2-6-18-33)39-22-10-7-20-37(39)47-40(49)23-13-24-41(47)50(34-29-30-36-35-19-8-11-26-43(35)51-44(36)31-34)42-25-14-28-46-48(42)38-21-9-12-27-45(38)52-46/h1-31H.
What are the key properties of N-dibenzothiophen-1-yl-N-(9,9-diphenylfluoren-4-yl)dibenzofuran-3-amine?
N-dibenzothiophen-1-yl-N-(9,9-diphenylfluoren-4-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-dibenzothiophen-1-yl-N-(9,9-diphenylfluoren-4-yl)dibenzofuran-3-amine is sourced from PubChem (CID 121424663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).