3'-[4-[4-(4-phenylanilino)phenyl]phenyl]-N,N-bis(4-phenylphenyl)spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-10,9'-fluorene]-7-amine

C79H52N2O2 — CID 166653983

IUPAC3'-[4-[4-(4-phenylanilino)phenyl]phenyl]-N,N-bis(4-phenylphenyl)spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-10,9'-fluorene]-7-amine
SMILESc1ccc(-c2ccc(Nc3ccc(-c4ccc(-c5ccc6c(c5)-c5ccccc5C65c6cc(N(c7ccc(-c8ccccc8)cc7)c7ccc(-c8ccccc8)cc7)ccc6-c6cc7c(cc65)Oc5ccccc5O7)cc4)cc3)cc2)cc1
InChIInChI=1S/C79H52N2O2/c1-4-14-52(15-5-1)56-28-37-62(38-29-56)80-63-39-30-57(31-40-63)55-24-26-60(27-25-55)61-36-47-72-69(48-61)67-20-10-11-21-71(67)79(72)73-49-66(45-46-68(73)70-50-77-78(51-74(70)79)83-76-23-13-12-22-75(76)82-77)81(64-41-32-58(33-42-64)53-16-6-2-7-17-53)65-43-34-59(35-44-65)54-18-8-3-9-19-54/h1-51,80H
InChIKeyFNULVKPSUUTDFH-UHFFFAOYSA-N
MW1061.30 g/mol
LogP21.48
Rot. Bonds10

About 3'-[4-[4-(4-phenylanilino)phenyl]phenyl]-N,N-bis(4-phenylphenyl)spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-10,9'-fluorene]-7-amine

3'-[4-[4-(4-phenylanilino)phenyl]phenyl]-N,N-bis(4-phenylphenyl)spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-10,9'-fluorene]-7-amine (PubChem CID 166653983) has the molecular formula C79H52N2O2 and a molecular weight of 1061.30 g/mol. Its IUPAC name is 3'-[4-[4-(4-phenylanilino)phenyl]phenyl]-N,N-bis(4-phenylphenyl)spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-10,9'-fluorene]-7-amine.

Molecular Properties

Compound Name3'-[4-[4-(4-phenylanilino)phenyl]phenyl]-N,N-bis(4-phenylphenyl)spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-10,9'-fluorene]-7-amine
PubChem CID166653983
Molecular FormulaC79H52N2O2
Molecular Weight1061.30 g/mol
Exact Mass1060.40
IUPAC Name3'-[4-[4-(4-phenylanilino)phenyl]phenyl]-N,N-bis(4-phenylphenyl)spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-10,9'-fluorene]-7-amine
SMILESc1ccc(-c2ccc(Nc3ccc(-c4ccc(-c5ccc6c(c5)-c5ccccc5C65c6cc(N(c7ccc(-c8ccccc8)cc7)c7ccc(-c8ccccc8)cc7)ccc6-c6cc7c(cc65)Oc5ccccc5O7)cc4)cc3)cc2)cc1
InChIInChI=1S/C79H52N2O2/c1-4-14-52(15-5-1)56-28-37-62(38-29-56)80-63-39-30-57(31-40-63)55-24-26-60(27-25-55)61-36-47-72-69(48-61)67-20-10-11-21-71(67)79(72)73-49-66(45-46-68(73)70-50-77-78(51-74(70)79)83-76-23-13-12-22-75(76)82-77)81(64-41-32-58(33-42-64)53-16-6-2-7-17-53)65-43-34-59(35-44-65)54-18-8-3-9-19-54/h1-51,80H
InChIKeyFNULVKPSUUTDFH-UHFFFAOYSA-N
XLogP21.48
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms83
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001061.30
LogP ≤ 521.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3'-[4-[4-(4-phenylanilino)phenyl]phenyl]-N,N-bis(4-phenylphenyl)spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-10,9'-fluorene]-7-amine with MolForge

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Related Compounds

1-N,1-N-diphenyl-4-N-(4-phenylphenyl)-4-N-(4-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]-2'-ylphenyl)benzene-1,4-diamine
CID 129309142
N-[4-(3-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138476873
4-(4-phenylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-2-ylphenyl)-N-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)aniline
CID 138476305
N-(4-phenylphenyl)-N-spiro[fluorene-9,9'-xanthene]-2-ylspiro[fluorene-9,9'-xanthene]-2-amine
CID 138475877
N,N-diphenyl-3-[4-(N-phenylanilino)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 121423944
N-(3,4-diphenylphenyl)-N-(4-phenylphenyl)spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-amine
CID 138582731
N,N-diphenyl-4-(3-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-ylphenyl)aniline
CID 138582245
4-N-[3-[2'-[4-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-yl]phenyl]-4-N-phenyl-1-N-(4-phenylphenyl)-1-N-(4-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]-2'-ylphenyl)benzene-1,4-diamine
CID 129309143
N-[2-(4-phenylphenyl)phenyl]-N-(4-spiro[fluorene-9,9'-xanthene]-3-ylphenyl)spiro[fluorene-9,9'-xanthene]-2-amine
CID 138477446
N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2-amine
CID 118641092
N,N,2',7'-tetraphenylspiro[fluorene-9,9'-xanthene]-2-amine
CID 170240662
N,N-bis(4-phenylphenyl)spiro[fluorene-9,8'-indeno[1,2-a]oxanthrene]-10'-amine
CID 129309035

Frequently Asked Questions

What is the IUPAC name of 3'-[4-[4-(4-phenylanilino)phenyl]phenyl]-N,N-bis(4-phenylphenyl)spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-10,9'-fluorene]-7-amine?
The IUPAC name of 3'-[4-[4-(4-phenylanilino)phenyl]phenyl]-N,N-bis(4-phenylphenyl)spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-10,9'-fluorene]-7-amine (CID 166653983) is 3'-[4-[4-(4-phenylanilino)phenyl]phenyl]-N,N-bis(4-phenylphenyl)spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-10,9'-fluorene]-7-amine.
What is the SMILES notation for 3'-[4-[4-(4-phenylanilino)phenyl]phenyl]-N,N-bis(4-phenylphenyl)spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-10,9'-fluorene]-7-amine?
The canonical SMILES for 3'-[4-[4-(4-phenylanilino)phenyl]phenyl]-N,N-bis(4-phenylphenyl)spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-10,9'-fluorene]-7-amine is c1ccc(-c2ccc(Nc3ccc(-c4ccc(-c5ccc6c(c5)-c5ccccc5C65c6cc(N(c7ccc(-c8ccccc8)cc7)c7ccc(-c8ccccc8)cc7)ccc6-c6cc7c(cc65)Oc5ccccc5O7)cc4)cc3)cc2)cc1.
What is the InChIKey of 3'-[4-[4-(4-phenylanilino)phenyl]phenyl]-N,N-bis(4-phenylphenyl)spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-10,9'-fluorene]-7-amine?
The InChIKey is FNULVKPSUUTDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C79H52N2O2/c1-4-14-52(15-5-1)56-28-37-62(38-29-56)80-63-39-30-57(31-40-63)55-24-26-60(27-25-55)61-36-47-72-69(48-61)67-20-10-11-21-71(67)79(72)73-49-66(45-46-68(73)70-50-77-78(51-74(70)79)83-76-23-13-12-22-75(76)82-77)81(64-41-32-58(33-42-64)53-16-6-2-7-17-53)65-43-34-59(35-44-65)54-18-8-3-9-19-54/h1-51,80H.
What are the key properties of 3'-[4-[4-(4-phenylanilino)phenyl]phenyl]-N,N-bis(4-phenylphenyl)spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-10,9'-fluorene]-7-amine?
3'-[4-[4-(4-phenylanilino)phenyl]phenyl]-N,N-bis(4-phenylphenyl)spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-10,9'-fluorene]-7-amine has a molecular weight of 1061.30 g/mol, XLogP of 21.48, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3'-[4-[4-(4-phenylanilino)phenyl]phenyl]-N,N-bis(4-phenylphenyl)spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4(9),5,7,11,15,17,19-nonaene-10,9'-fluorene]-7-amine is sourced from PubChem (CID 166653983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).