9,9-diphenyl-N-[2-[3-(10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,17,19,21(25)-decaen-18-yl)phenyl]phenyl]fluoren-2-amine

C67H48N2 — CID 145085634

IUPAC9,9-diphenyl-N-[2-[3-(10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,17,19,21(25)-decaen-18-yl)phenyl]phenyl]fluoren-2-amine
SMILESC1=C(c2cccc(-c3ccccc3Nc3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c2)C=C2C3=C4C(=CCC3)c3ccccc3-c3cc(-c5ccccc5)ccc3N4C2C1
InChIInChI=1S/C67H48N2/c1-4-18-44(19-5-1)46-34-38-64-59(41-46)54-28-11-10-27-53(54)57-30-17-31-58-60-42-47(35-39-65(60)69(64)66(57)58)45-20-16-21-48(40-45)52-26-13-15-33-63(52)68-51-36-37-56-55-29-12-14-32-61(55)67(62(56)43-51,49-22-6-2-7-23-49)50-24-8-3-9-25-50/h1-16,18-30,32-38,40-43,65,68H,17,31,39H2
InChIKeyPUIGUWDEKPWFLG-UHFFFAOYSA-N
MW881.14 g/mol
LogP16.84
Rot. Bonds7

About 9,9-diphenyl-N-[2-[3-(10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,17,19,21(25)-decaen-18-yl)phenyl]phenyl]fluoren-2-amine

9,9-diphenyl-N-[2-[3-(10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,17,19,21(25)-decaen-18-yl)phenyl]phenyl]fluoren-2-amine (PubChem CID 145085634) has the molecular formula C67H48N2 and a molecular weight of 881.14 g/mol. Its IUPAC name is 9,9-diphenyl-N-[2-[3-(10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,17,19,21(25)-decaen-18-yl)phenyl]phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-diphenyl-N-[2-[3-(10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,17,19,21(25)-decaen-18-yl)phenyl]phenyl]fluoren-2-amine
PubChem CID145085634
Molecular FormulaC67H48N2
Molecular Weight881.14 g/mol
Exact Mass880.38
IUPAC Name9,9-diphenyl-N-[2-[3-(10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,17,19,21(25)-decaen-18-yl)phenyl]phenyl]fluoren-2-amine
SMILESC1=C(c2cccc(-c3ccccc3Nc3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c2)C=C2C3=C4C(=CCC3)c3ccccc3-c3cc(-c5ccccc5)ccc3N4C2C1
InChIInChI=1S/C67H48N2/c1-4-18-44(19-5-1)46-34-38-64-59(41-46)54-28-11-10-27-53(54)57-30-17-31-58-60-42-47(35-39-65(60)69(64)66(57)58)45-20-16-21-48(40-45)52-26-13-15-33-63(52)68-51-36-37-56-55-29-12-14-32-61(55)67(62(56)43-51,49-22-6-2-7-23-49)50-24-8-3-9-25-50/h1-16,18-30,32-38,40-43,65,68H,17,31,39H2
InChIKeyPUIGUWDEKPWFLG-UHFFFAOYSA-N
XLogP16.84
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500881.14
LogP ≤ 516.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 9,9-diphenyl-N-[2-[3-(10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,17,19,21(25)-decaen-18-yl)phenyl]phenyl]fluoren-2-amine with MolForge

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Related Compounds

9-[4-(9-phenylfluoren-9-yl)phenyl]-3-[9-(4-phenylphenyl)-1,9a-dihydrocarbazol-3-yl]carbazole
CID 134407184
N-(2-phenylphenyl)spiro[6,7-dihydrofluorene-9,9'-fluorene]-2-amine
CID 123741580
3-[4-[2-[3-[4-[(9,9-diphenylfluoren-2-yl)amino]-3-phenylphenyl]-5-methylcyclohexa-1,3-dien-1-yl]anilino]phenyl]benzonitrile
CID 118895769
9,9-diphenyl-N-(2-phenylphenyl)fluoren-3-amine
CID 155297414
9,9-diphenyl-N-(2-spiro[cyclopentane-1,9'-fluorene]-2'-ylphenyl)fluoren-2-amine
CID 153470826
9,9-di(dibenzofuran-2-yl)-N-[2-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 142453747
9-(3-methylcyclohexa-1,5-dien-1-yl)-N-[2-[3-(24-methyl-10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-2,4,6,8(13),9,11,15(20),16,18,21(25),22-undecaen-18-yl)phenyl]phenyl]-9-phenylfluoren-2-amine
CID 121355740
9,9-diphenyl-2-[3-(3-phenylphenyl)phenyl]fluorene
CID 154591168
N-(2-chlorophenyl)-9,9-diphenylfluoren-2-amine
CID 126695799
2-(9,9-diphenylfluoren-2-yl)-4-(3-phenylcyclohexa-1,3-dien-1-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 134447548
N-(2-cyclohexa-1,5-dien-1-yl-4-phenylphenyl)-9,9-dimethylfluoren-2-amine
CID 156510122
N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine
CID 177113841

Frequently Asked Questions

What is the IUPAC name of 9,9-diphenyl-N-[2-[3-(10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,17,19,21(25)-decaen-18-yl)phenyl]phenyl]fluoren-2-amine?
The IUPAC name of 9,9-diphenyl-N-[2-[3-(10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,17,19,21(25)-decaen-18-yl)phenyl]phenyl]fluoren-2-amine (CID 145085634) is 9,9-diphenyl-N-[2-[3-(10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,17,19,21(25)-decaen-18-yl)phenyl]phenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-diphenyl-N-[2-[3-(10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,17,19,21(25)-decaen-18-yl)phenyl]phenyl]fluoren-2-amine?
The canonical SMILES for 9,9-diphenyl-N-[2-[3-(10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,17,19,21(25)-decaen-18-yl)phenyl]phenyl]fluoren-2-amine is C1=C(c2cccc(-c3ccccc3Nc3ccc4c(c3)C(c3ccccc3)(c3ccccc3)c3ccccc3-4)c2)C=C2C3=C4C(=CCC3)c3ccccc3-c3cc(-c5ccccc5)ccc3N4C2C1.
What is the InChIKey of 9,9-diphenyl-N-[2-[3-(10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,17,19,21(25)-decaen-18-yl)phenyl]phenyl]fluoren-2-amine?
The InChIKey is PUIGUWDEKPWFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H48N2/c1-4-18-44(19-5-1)46-34-38-64-59(41-46)54-28-11-10-27-53(54)57-30-17-31-58-60-42-47(35-39-65(60)69(64)66(57)58)45-20-16-21-48(40-45)52-26-13-15-33-63(52)68-51-36-37-56-55-29-12-14-32-61(55)67(62(56)43-51,49-22-6-2-7-23-49)50-24-8-3-9-25-50/h1-16,18-30,32-38,40-43,65,68H,17,31,39H2.
What are the key properties of 9,9-diphenyl-N-[2-[3-(10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,17,19,21(25)-decaen-18-yl)phenyl]phenyl]fluoren-2-amine?
9,9-diphenyl-N-[2-[3-(10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,17,19,21(25)-decaen-18-yl)phenyl]phenyl]fluoren-2-amine has a molecular weight of 881.14 g/mol, XLogP of 16.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-diphenyl-N-[2-[3-(10-phenyl-14-azahexacyclo[12.10.1.02,7.08,13.015,20.021,25]pentacosa-1(24),2,4,6,8(13),9,11,17,19,21(25)-decaen-18-yl)phenyl]phenyl]fluoren-2-amine is sourced from PubChem (CID 145085634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).