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

C76H52N2 — CID 167117932

IUPAC9,9-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
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccccc4)cc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-c5c4ccc4c5c5ccccc5n4-c4ccccc4)c3)cc21
InChIInChI=1S/C76H52N2/c1-75(2)65-30-16-12-26-59(65)61-41-39-57(48-69(61)75)77(56-37-34-51(35-38-56)49-20-6-3-7-21-49)58-45-53(50-22-8-4-9-23-50)44-54(46-58)52-36-40-62-60-27-13-17-31-66(60)76(70(62)47-52)67-32-18-14-28-63(67)73-68(76)42-43-72-74(73)64-29-15-19-33-71(64)78(72)55-24-10-5-11-25-55/h3-48H,1-2H3
InChIKeyOLWNTGWWWCCOMK-UHFFFAOYSA-N
MW993.27 g/mol
LogP19.90
Rot. Bonds7

About 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

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 (PubChem CID 167117932) has the molecular formula C76H52N2 and a molecular weight of 993.27 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9,9-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
PubChem CID167117932
Molecular FormulaC76H52N2
Molecular Weight993.27 g/mol
Exact Mass992.41
IUPAC Name9,9-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
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccccc4)cc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-c5c4ccc4c5c5ccccc5n4-c4ccccc4)c3)cc21
InChIInChI=1S/C76H52N2/c1-75(2)65-30-16-12-26-59(65)61-41-39-57(48-69(61)75)77(56-37-34-51(35-38-56)49-20-6-3-7-21-49)58-45-53(50-22-8-4-9-23-50)44-54(46-58)52-36-40-62-60-27-13-17-31-66(60)76(70(62)47-52)67-32-18-14-28-63(67)73-68(76)42-43-72-74(73)64-29-15-19-33-71(64)78(72)55-24-10-5-11-25-55/h3-48H,1-2H3
InChIKeyOLWNTGWWWCCOMK-UHFFFAOYSA-N
XLogP19.90
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms78
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500993.27
LogP ≤ 519.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

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
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-[3-[9-[4-[3-(N-(9,9-dimethylfluoren-2-yl)-4-phenylanilino)phenyl]phenyl]carbazol-3-yl]phenyl]phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 138519532
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-2-yl)phenyl]-9-phenylcarbazol-3-amine
CID 167177623
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-7'-(9-phenylcarbazol-3-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 58084625
3,5-bis(9,9-dimethylfluoren-2-yl)-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 70808663
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
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[3-(9-phenylcarbazol-4-yl)phenyl]phenyl]fluoren-2-amine
CID 176878096
9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[3-phenyl-5-(9-phenylcarbazol-4-yl)phenyl]phenyl]fluoren-2-amine
CID 176878199
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9,9-diphenylfluoren-2-yl)phenyl]-9-phenylcarbazol-3-amine
CID 126605201
N-(9,9-dimethylfluoren-2-yl)-N-[4-(9-phenylcarbazol-4-yl)phenyl]spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]-2-amine
CID 121391796
1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-[9-(4-phenylphenyl)carbazol-3-yl]benzene-1,3-diamine
CID 87174603
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-3-(9-phenylcarbazol-4-yl)-N-(4-phenylphenyl)aniline
CID 166659757

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cc(-c4ccccc4)cc(-c4ccc5c(c4)C4(c6ccccc6-5)c5ccccc5-c5c4ccc4c5c5ccccc5n4-c4ccccc4)c3)cc21.
What is the InChIKey of 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?
The InChIKey is OLWNTGWWWCCOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C76H52N2/c1-75(2)65-30-16-12-26-59(65)61-41-39-57(48-69(61)75)77(56-37-34-51(35-38-56)49-20-6-3-7-21-49)58-45-53(50-22-8-4-9-23-50)44-54(46-58)52-36-40-62-60-27-13-17-31-66(60)76(70(62)47-52)67-32-18-14-28-63(67)73-68(76)42-43-72-74(73)64-29-15-19-33-71(64)78(72)55-24-10-5-11-25-55/h3-48H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 993.27 g/mol, XLogP of 19.90, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167117932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).