N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-3-amine

C61H37NO2S — CID 164981075

IUPACN-(9,9-diphenylfluoren-2-yl)-N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5cccc6oc7ccc8c9ccccc9sc8c7c56)cc4)c4ccc5c(c4)oc4ccccc45)cc32)cc1
InChIInChI=1S/C61H37NO2S/c1-3-14-39(15-4-1)61(40-16-5-2-6-17-40)51-22-10-7-18-45(51)46-32-30-42(36-52(46)61)62(43-31-33-48-47-19-8-11-23-53(47)63-56(48)37-43)41-28-26-38(27-29-41)44-21-13-24-54-58(44)59-55(64-54)35-34-50-49-20-9-12-25-57(49)65-60(50)59/h1-37H
InChIKeyHBUOQRVBMZMVRC-UHFFFAOYSA-N
MW848.04 g/mol
LogP17.35
Rot. Bonds6

About N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-3-amine

N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-3-amine (PubChem CID 164981075) has the molecular formula C61H37NO2S and a molecular weight of 848.04 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-3-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-2-yl)-N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-3-amine
PubChem CID164981075
Molecular FormulaC61H37NO2S
Molecular Weight848.04 g/mol
Exact Mass847.25
IUPAC NameN-(9,9-diphenylfluoren-2-yl)-N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-3-amine
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5cccc6oc7ccc8c9ccccc9sc8c7c56)cc4)c4ccc5c(c4)oc4ccccc45)cc32)cc1
InChIInChI=1S/C61H37NO2S/c1-3-14-39(15-4-1)61(40-16-5-2-6-17-40)51-22-10-7-18-45(51)46-32-30-42(36-52(46)61)62(43-31-33-48-47-19-8-11-23-53(47)63-56(48)37-43)41-28-26-38(27-29-41)44-21-13-24-54-58(44)59-55(64-54)35-34-50-49-20-9-12-25-57(49)65-60(50)59/h1-37H
InChIKeyHBUOQRVBMZMVRC-UHFFFAOYSA-N
XLogP17.35
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500848.04
LogP ≤ 517.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-3-amine with MolForge

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Related Compounds

N-(4-dibenzothiophen-4-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-2-amine
CID 169022179
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
N-(4-dibenzofuran-4-ylphenyl)-9-dibenzothiophen-4-yl-9-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 122593263
N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-3-yl)dibenzothiophen-4-amine
CID 121424914
9-dibenzofuran-3-yl-N,9-diphenyl-N-(4-phenylphenyl)fluoren-2-amine;N-(9-dibenzofuran-2-yl-9-phenylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-3-amine;9-dibenzofuran-3-yl-N,N,9-triphenylfluoren-2-amine
CID 157052053
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 121424800
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzofuran-4-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(9-phenylfluoren-9-yl)phenyl]dibenzothiophen-4-amine
CID 158701835
N-dibenzothiophen-4-yl-N-(9,9-diphenylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-3-amine
CID 169022269
N-dibenzofuran-3-yl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-3-amine;N-phenyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-4-amine;N-phenyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzothiophen-4-amine
CID 159394304
2-N-dibenzofuran-3-yl-9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-7-N-phenylfluorene-2,7-diamine;2-N-dibenzothiophen-3-yl-9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-7-N-phenylfluorene-2,7-diamine;9,9-dimethyl-2-N,7-N-dinaphthalen-1-yl-7-N-phenyl-2-N-(4-phenylphenyl)fluorene-2,7-diamine;7-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine;9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N,7-N-bis(4-phenylphenyl)fluorene-2,7-diamine;7-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-2-N-naphthalen-1-yl-2-N-phenyl-7-N-(4-phenylphenyl)fluorene-2,7-diamine
CID 159611762
N,N-bis(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-2-amine;N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-9,9-diphenylfluoren-2-amine;N-(4-dibenzofuran-2-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-9,9-diphenylfluoren-2-amine
CID 158676127
N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-dibenzothiophen-2-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine;N-(4-dibenzofuran-4-ylphenyl)-N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-9,9-diphenylfluoren-3-amine
CID 162198372

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-3-amine?
The IUPAC name of N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-3-amine (CID 164981075) is N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-3-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-3-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-3-amine is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(N(c4ccc(-c5cccc6oc7ccc8c9ccccc9sc8c7c56)cc4)c4ccc5c(c4)oc4ccccc45)cc32)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-3-amine?
The InChIKey is HBUOQRVBMZMVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H37NO2S/c1-3-14-39(15-4-1)61(40-16-5-2-6-17-40)51-22-10-7-18-45(51)46-32-30-42(36-52(46)61)62(43-31-33-48-47-19-8-11-23-53(47)63-56(48)37-43)41-28-26-38(27-29-41)44-21-13-24-54-58(44)59-55(64-54)35-34-50-49-20-9-12-25-57(49)65-60(50)59/h1-37H.
What are the key properties of N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-3-amine?
N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-3-amine has a molecular weight of 848.04 g/mol, XLogP of 17.35, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-2-yl)-N-[4-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaen-4-yl)phenyl]dibenzofuran-3-amine is sourced from PubChem (CID 164981075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).