N-(9,9-dimethylfluoren-2-yl)-7'-(1,13-diphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine

C77H52N2 — CID 168750612

IUPACN-(9,9-dimethylfluoren-2-yl)-7'-(1,13-diphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(-c5ccc6c(c5)C5(c7ccccc7)c7ccccc7N(c7ccccc7)c7cccc-6c75)ccc3-4)cc21
InChIInChI=1S/C77H52N2/c1-75(2)64-31-15-12-27-56(64)59-43-39-54(47-68(59)75)78(52-23-8-4-9-24-52)55-40-44-61-60-41-37-50(46-70(60)77(71(61)48-55)65-32-16-13-28-57(65)58-29-14-17-33-66(58)77)49-38-42-62-63-30-20-36-73-74(63)76(69(62)45-49,51-21-6-3-7-22-51)67-34-18-19-35-72(67)79(73)53-25-10-5-11-26-53/h3-48H,1-2H3
InChIKeyXJTTUTRXGNMHAX-UHFFFAOYSA-N
MW1005.28 g/mol
LogP19.62
Rot. Bonds6

About N-(9,9-dimethylfluoren-2-yl)-7'-(1,13-diphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine

N-(9,9-dimethylfluoren-2-yl)-7'-(1,13-diphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 168750612) has the molecular formula C77H52N2 and a molecular weight of 1005.28 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-7'-(1,13-diphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-7'-(1,13-diphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
PubChem CID168750612
Molecular FormulaC77H52N2
Molecular Weight1005.28 g/mol
Exact Mass1004.41
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-7'-(1,13-diphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(-c5ccc6c(c5)C5(c7ccccc7)c7ccccc7N(c7ccccc7)c7cccc-6c75)ccc3-4)cc21
InChIInChI=1S/C77H52N2/c1-75(2)64-31-15-12-27-56(64)59-43-39-54(47-68(59)75)78(52-23-8-4-9-24-52)55-40-44-61-60-41-37-50(46-70(60)77(71(61)48-55)65-32-16-13-28-57(65)58-29-14-17-33-66(58)77)49-38-42-62-63-30-20-36-73-74(63)76(69(62)45-49,51-21-6-3-7-22-51)67-34-18-19-35-72(67)79(73)53-25-10-5-11-26-53/h3-48H,1-2H3
InChIKeyXJTTUTRXGNMHAX-UHFFFAOYSA-N
XLogP19.62
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms79
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001005.28
LogP ≤ 519.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(9,9-dimethylfluoren-2-yl)-7'-(1,13-diphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N,10-diphenylspiro[acridine-9,9'-fluorene]-2'-amine
CID 134309240
9,9-dimethyl-N-(2-phenylphenyl)-N-[4-(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)phenyl]fluoren-2-amine;N,N-diphenyl-4-(10-phenylspiro[acridine-9,9'-fluorene]-2'-yl)aniline
CID 161259967
N-(9,9-diphenylfluoren-2-yl)-1,13-diphenyl-N-(3-phenylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-amine
CID 168750647
N-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]phenyl]-10-phenyl-N-(2-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine
CID 155240757
N-(9,9-dimethylfluoren-2-yl)-N-(4-naphthalen-1-ylphenyl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine
CID 155240509
N-(9,9-diphenylfluoren-2-yl)-10-phenyl-N-[4-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine;N-(9,9-diphenylfluoren-2-yl)-10-phenyl-N-(2-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine;N-(9,9-diphenylfluoren-2-yl)-10-phenyl-N-(3-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine
CID 158938491
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N,7,10-triphenylacridin-2-amine
CID 144559421
N-(9,9-diphenylfluoren-2-yl)-10-phenyl-N-[4-(2-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
CID 155240909
N-(9,9-dimethylfluoren-2-yl)-N-(2,5-diphenylphenyl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine
CID 155240335
N-[4-(9,9-dimethyl-10-phenylacridin-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 58489884
N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-dimethylfluoren-2-amine;N-[3-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)-9,9-diphenylfluoren-2-amine
CID 159624987
N,N-bis[3-(9,9-diphenylfluoren-2-yl)phenyl]-9,9-dimethylfluoren-2-amine
CID 154972916

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-7'-(1,13-diphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-7'-(1,13-diphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine (CID 168750612) is N-(9,9-dimethylfluoren-2-yl)-7'-(1,13-diphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-7'-(1,13-diphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-7'-(1,13-diphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3cc(-c5ccc6c(c5)C5(c7ccccc7)c7ccccc7N(c7ccccc7)c7cccc-6c75)ccc3-4)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-7'-(1,13-diphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine?
The InChIKey is XJTTUTRXGNMHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H52N2/c1-75(2)64-31-15-12-27-56(64)59-43-39-54(47-68(59)75)78(52-23-8-4-9-24-52)55-40-44-61-60-41-37-50(46-70(60)77(71(61)48-55)65-32-16-13-28-57(65)58-29-14-17-33-66(58)77)49-38-42-62-63-30-20-36-73-74(63)76(69(62)45-49,51-21-6-3-7-22-51)67-34-18-19-35-72(67)79(73)53-25-10-5-11-26-53/h3-48H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-7'-(1,13-diphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine?
N-(9,9-dimethylfluoren-2-yl)-7'-(1,13-diphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine has a molecular weight of 1005.28 g/mol, XLogP of 19.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-7'-(1,13-diphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 168750612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).