4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17(22),20-nonaene-13,9'-fluorene]-3'-ylphenyl)aniline

C69H47NO — CID 138568437

IUPAC4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17(22),20-nonaene-13,9'-fluorene]-3'-ylphenyl)aniline
SMILESC1=Cc2c(ccc3c2Oc2c(ccc4ccccc24)C32c3ccccc3-c3cc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6-c6ccccc6)cc5)cc4)ccc32)CC1
InChIInChI=1S/C69H47NO/c1-3-15-46(16-4-1)47-27-36-54(37-28-47)70(56-40-31-52(32-41-56)58-22-12-11-21-57(58)49-17-5-2-6-18-49)55-38-29-48(30-39-55)53-35-42-64-62(45-53)61-25-13-14-26-63(61)69(64)65-43-33-50-19-7-9-23-59(50)67(65)71-68-60-24-10-8-20-51(60)34-44-66(68)69/h1-7,9-19,21-45H,8,20H2
InChIKeyYUURMCCYOPIVIS-UHFFFAOYSA-N
MW906.14 g/mol
LogP18.41
Rot. Bonds7

About 4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17(22),20-nonaene-13,9'-fluorene]-3'-ylphenyl)aniline

4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17(22),20-nonaene-13,9'-fluorene]-3'-ylphenyl)aniline (PubChem CID 138568437) has the molecular formula C69H47NO and a molecular weight of 906.14 g/mol. Its IUPAC name is 4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17(22),20-nonaene-13,9'-fluorene]-3'-ylphenyl)aniline.

Molecular Properties

Compound Name4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17(22),20-nonaene-13,9'-fluorene]-3'-ylphenyl)aniline
PubChem CID138568437
Molecular FormulaC69H47NO
Molecular Weight906.14 g/mol
Exact Mass905.37
IUPAC Name4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17(22),20-nonaene-13,9'-fluorene]-3'-ylphenyl)aniline
SMILESC1=Cc2c(ccc3c2Oc2c(ccc4ccccc24)C32c3ccccc3-c3cc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6-c6ccccc6)cc5)cc4)ccc32)CC1
InChIInChI=1S/C69H47NO/c1-3-15-46(16-4-1)47-27-36-54(37-28-47)70(56-40-31-52(32-41-56)58-22-12-11-21-57(58)49-17-5-2-6-18-49)55-38-29-48(30-39-55)53-35-42-64-62(45-53)61-25-13-14-26-63(61)69(64)65-43-33-50-19-7-9-23-59(50)67(65)71-68-60-24-10-8-20-51(60)34-44-66(68)69/h1-7,9-19,21-45H,8,20H2
InChIKeyYUURMCCYOPIVIS-UHFFFAOYSA-N
XLogP18.41
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms71
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500906.14
LogP ≤ 518.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17(22),20-nonaene-13,9'-fluorene]-3'-ylphenyl)aniline with MolForge

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Related Compounds

N,N-bis(4-phenylphenyl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-3'-amine
CID 140918835
N-naphthalen-2-yl-N-(4-phenylphenyl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-amine
CID 135229633
4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenyl)aniline
CID 138568462
N-dibenzothiophen-2-yl-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-3'-ylphenyl)dibenzothiophen-2-amine
CID 138568832
N-(2-phenylphenyl)-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-3'-ylphenyl)naphthalen-1-amine
CID 138568539
N-(3,5-diphenylphenyl)-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 135229807
N-(9,9-diphenylfluoren-3-yl)-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 135229678
N-(4-dibenzothiophen-2-ylphenyl)-4-phenyl-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-ylphenyl)aniline
CID 135229572
N-dibenzofuran-2-yl-N-(3-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-3'-ylphenyl)dibenzofuran-3-amine
CID 138568873
4,6-diphenyl-2-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-3'-ylphenyl)pyrimidine
CID 139306402
2'-(9,9'-spirobi[fluorene]-2-yl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]
CID 170034318
N-(3-phenylphenyl)-N-(4-phenylphenyl)spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17,19,21-decaene-13,9'-fluorene]-4'-amine
CID 135229554

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17(22),20-nonaene-13,9'-fluorene]-3'-ylphenyl)aniline?
The IUPAC name of 4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17(22),20-nonaene-13,9'-fluorene]-3'-ylphenyl)aniline (CID 138568437) is 4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17(22),20-nonaene-13,9'-fluorene]-3'-ylphenyl)aniline.
What is the SMILES notation for 4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17(22),20-nonaene-13,9'-fluorene]-3'-ylphenyl)aniline?
The canonical SMILES for 4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17(22),20-nonaene-13,9'-fluorene]-3'-ylphenyl)aniline is C1=Cc2c(ccc3c2Oc2c(ccc4ccccc24)C32c3ccccc3-c3cc(-c4ccc(N(c5ccc(-c6ccccc6)cc5)c5ccc(-c6ccccc6-c6ccccc6)cc5)cc4)ccc32)CC1.
What is the InChIKey of 4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17(22),20-nonaene-13,9'-fluorene]-3'-ylphenyl)aniline?
The InChIKey is YUURMCCYOPIVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H47NO/c1-3-15-46(16-4-1)47-27-36-54(37-28-47)70(56-40-31-52(32-41-56)58-22-12-11-21-57(58)49-17-5-2-6-18-49)55-38-29-48(30-39-55)53-35-42-64-62(45-53)61-25-13-14-26-63(61)69(64)65-43-33-50-19-7-9-23-59(50)67(65)71-68-60-24-10-8-20-51(60)34-44-66(68)69/h1-7,9-19,21-45H,8,20H2.
What are the key properties of 4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17(22),20-nonaene-13,9'-fluorene]-3'-ylphenyl)aniline?
4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17(22),20-nonaene-13,9'-fluorene]-3'-ylphenyl)aniline has a molecular weight of 906.14 g/mol, XLogP of 18.41, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[4-(2-phenylphenyl)phenyl]-N-(4-spiro[2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4,6,8,10,15,17(22),20-nonaene-13,9'-fluorene]-3'-ylphenyl)aniline is sourced from PubChem (CID 138568437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).