6-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-amine

C51H33NO3 — CID 170535825

IUPAC6-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3c(-c4cccc5c4oc4ccccc45)ccc4c3oc3ccc5oc6ccccc6c5c34)cc21
InChIInChI=1S/C51H33NO3/c1-51(2)40-20-9-6-15-32(40)33-24-23-31(29-41(33)51)52(30-13-4-3-5-14-30)48-35(37-19-12-18-36-34-16-7-10-21-42(34)54-49(36)37)25-26-39-47-45(55-50(39)48)28-27-44-46(47)38-17-8-11-22-43(38)53-44/h3-29H,1-2H3
InChIKeyXIJNRDHATKKSSD-UHFFFAOYSA-N
MW707.83 g/mol
LogP14.83
Rot. Bonds4

About 6-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-amine

6-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-amine (PubChem CID 170535825) has the molecular formula C51H33NO3 and a molecular weight of 707.83 g/mol. Its IUPAC name is 6-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-amine.

Molecular Properties

Compound Name6-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-amine
PubChem CID170535825
Molecular FormulaC51H33NO3
Molecular Weight707.83 g/mol
Exact Mass707.25
IUPAC Name6-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3c(-c4cccc5c4oc4ccccc45)ccc4c3oc3ccc5oc6ccccc6c5c34)cc21
InChIInChI=1S/C51H33NO3/c1-51(2)40-20-9-6-15-32(40)33-24-23-31(29-41(33)51)52(30-13-4-3-5-14-30)48-35(37-19-12-18-36-34-16-7-10-21-42(34)54-49(36)37)25-26-39-47-45(55-50(39)48)28-27-44-46(47)38-17-8-11-22-43(38)53-44/h3-29H,1-2H3
InChIKeyXIJNRDHATKKSSD-UHFFFAOYSA-N
XLogP14.83
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500707.83
LogP ≤ 514.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N,6-dinaphthalen-1-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-amine
CID 170536433
1-N-dibenzofuran-2-yl-3-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 71126705
3-[4-[(9,9-dimethylfluoren-2-yl)-methylamino]phenyl]-N-phenyl-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 167255473
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)triphenylen-2-amine
CID 118214526
N,N-bis(4-dibenzofuran-4-ylphenyl)-4-(4-triphenylen-2-ylphenyl)aniline;N-(4-dibenzofuran-2-ylphenyl)-9,9-dimethyl-N-[4-(4-triphenylen-2-ylphenyl)phenyl]fluoren-2-amine
CID 159965334
4-[4-(4-dibenzofuran-3-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]-N,N-diphenylaniline;N-[4-[4-(4-dibenzofuran-3-yl-N-(4-dibenzofuran-4-ylphenyl)anilino)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;2-N-(4-dibenzofuran-3-ylphenyl)-2-N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-7-N,7-N-diphenylfluorene-2,7-diamine;4-N-(4-dibenzofuran-3-ylphenyl)-4-N-(4-dibenzofuran-4-ylphenyl)-1-N,1-N-diphenylbenzene-1,4-diamine
CID 157103465
N-[3-(4-dibenzofuran-4-yl-3-phenylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 139554045
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(6-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]fluoren-2-amine
CID 169280347
3-dibenzofuran-4-yl-9,9-dimethyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 178064101
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964252
N-(2-dibenzofuran-4-ylphenyl)-N-[2-(9,9-dimethylfluoren-4-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 170143021
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 67964212

Frequently Asked Questions

What is the IUPAC name of 6-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-amine?
The IUPAC name of 6-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-amine (CID 170535825) is 6-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-amine.
What is the SMILES notation for 6-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-amine?
The canonical SMILES for 6-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3c(-c4cccc5c4oc4ccccc45)ccc4c3oc3ccc5oc6ccccc6c5c34)cc21.
What is the InChIKey of 6-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-amine?
The InChIKey is XIJNRDHATKKSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33NO3/c1-51(2)40-20-9-6-15-32(40)33-24-23-31(29-41(33)51)52(30-13-4-3-5-14-30)48-35(37-19-12-18-36-34-16-7-10-21-42(34)54-49(36)37)25-26-39-47-45(55-50(39)48)28-27-44-46(47)38-17-8-11-22-43(38)53-44/h3-29H,1-2H3.
What are the key properties of 6-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-amine?
6-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-amine has a molecular weight of 707.83 g/mol, XLogP of 14.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-phenyl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-amine is sourced from PubChem (CID 170535825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).