N,4-diphenyl-N-[4-(9-phenylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-yl)phenyl]aniline

C61H40N2 — CID 167118107

IUPACN,4-diphenyl-N-[4-(9-phenylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-c5c4ccc4c5c5ccccc5n4-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C61H40N2/c1-4-16-41(17-5-1)42-28-33-47(34-29-42)62(45-18-6-2-7-19-45)48-35-30-43(31-36-48)44-32-37-50-49-22-10-13-25-53(49)61(56(50)40-44)54-26-14-11-23-51(54)59-55(61)38-39-58-60(59)52-24-12-15-27-57(52)63(58)46-20-8-3-9-21-46/h1-40H
InChIKeyWGJLXOUCBPHCDF-UHFFFAOYSA-N
MW801.01 g/mol
LogP15.93
Rot. Bonds6

About N,4-diphenyl-N-[4-(9-phenylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-yl)phenyl]aniline

N,4-diphenyl-N-[4-(9-phenylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-yl)phenyl]aniline (PubChem CID 167118107) has the molecular formula C61H40N2 and a molecular weight of 801.01 g/mol. Its IUPAC name is N,4-diphenyl-N-[4-(9-phenylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-yl)phenyl]aniline.

Molecular Properties

Compound NameN,4-diphenyl-N-[4-(9-phenylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-yl)phenyl]aniline
PubChem CID167118107
Molecular FormulaC61H40N2
Molecular Weight801.01 g/mol
Exact Mass800.32
IUPAC NameN,4-diphenyl-N-[4-(9-phenylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-yl)phenyl]aniline
SMILESc1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-c5c4ccc4c5c5ccccc5n4-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C61H40N2/c1-4-16-41(17-5-1)42-28-33-47(34-29-42)62(45-18-6-2-7-19-45)48-35-30-43(31-36-48)44-32-37-50-49-22-10-13-25-53(49)61(56(50)40-44)54-26-14-11-23-51(54)59-55(61)38-39-58-60(59)52-24-12-15-27-57(52)63(58)46-20-8-3-9-21-46/h1-40H
InChIKeyWGJLXOUCBPHCDF-UHFFFAOYSA-N
XLogP15.93
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500801.01
LogP ≤ 515.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,4-diphenyl-N-[4-(9-phenylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-yl)phenyl]aniline with MolForge

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Related Compounds

9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-5-(9-phenylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-yl)phenyl]fluoren-2-amine
CID 167117932
CID 134551696
CID 134551696
3,5-diphenyl-N-[4-[3-(9-phenylcarbazol-4-yl)-5-(9,9'-spirobi[fluorene]-2-yl)phenyl]phenyl]-N-(4-phenylphenyl)aniline
CID 176878089
3-N-dibenzofuran-4-yl-1-N-phenyl-1-N-(4-phenylphenyl)-3-N-(9-phenylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-yl)benzene-1,3-diamine
CID 170690324
N-phenyl-3-(9-phenylcarbazol-3-yl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 167255296
N,9-diphenyl-N-[7'-(10-phenylanthracen-9-yl)-9,9'-spirobi[fluorene]-2'-yl]carbazol-3-amine
CID 58850678
N-[4-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)phenyl]-N-phenyl-4-(9-phenylcarbazol-3-yl)aniline
CID 156664769
9-phenyl-N-(4-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-ylcarbazol-3-amine
CID 130262866
2-N'-[4-[4-[3-[4-(N-[4-(4-carbazol-9-ylphenyl)phenyl]-4-phenylanilino)phenyl]phenyl]phenyl]phenyl]-7-N'-phenyl-2-N'-(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine
CID 167023334
1-N,3-N-bis(9-phenylcarbazol-4-yl)-1-N,3-N-bis(4-phenylphenyl)-5-(9,9'-spirobi[fluorene]-2-yl)benzene-1,3-diamine
CID 121361242
N-[4-[4-(3,6-diphenylcarbazol-9-yl)phenyl]phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 121358420
N-[3-(3,5-diphenylphenyl)phenyl]-N-[4-(9-phenylcarbazol-4-yl)phenyl]-9,9'-spirobi[fluorene]-4-amine
CID 121358469

Frequently Asked Questions

What is the IUPAC name of N,4-diphenyl-N-[4-(9-phenylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-yl)phenyl]aniline?
The IUPAC name of N,4-diphenyl-N-[4-(9-phenylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-yl)phenyl]aniline (CID 167118107) is N,4-diphenyl-N-[4-(9-phenylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-yl)phenyl]aniline.
What is the SMILES notation for N,4-diphenyl-N-[4-(9-phenylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-yl)phenyl]aniline?
The canonical SMILES for N,4-diphenyl-N-[4-(9-phenylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-yl)phenyl]aniline is c1ccc(-c2ccc(N(c3ccccc3)c3ccc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-c5c4ccc4c5c5ccccc5n4-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of N,4-diphenyl-N-[4-(9-phenylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-yl)phenyl]aniline?
The InChIKey is WGJLXOUCBPHCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40N2/c1-4-16-41(17-5-1)42-28-33-47(34-29-42)62(45-18-6-2-7-19-45)48-35-30-43(31-36-48)44-32-37-50-49-22-10-13-25-53(49)61(56(50)40-44)54-26-14-11-23-51(54)59-55(61)38-39-58-60(59)52-24-12-15-27-57(52)63(58)46-20-8-3-9-21-46/h1-40H.
What are the key properties of N,4-diphenyl-N-[4-(9-phenylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-yl)phenyl]aniline?
N,4-diphenyl-N-[4-(9-phenylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-yl)phenyl]aniline has a molecular weight of 801.01 g/mol, XLogP of 15.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-diphenyl-N-[4-(9-phenylspiro[9-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene-14,9'-fluorene]-2'-yl)phenyl]aniline is sourced from PubChem (CID 167118107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).