N-(9,9-dimethylfluoren-2-yl)-3,3-dimethyl-16-phenyl-N-(3-phenylphenyl)-16-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaen-20-amine

C58H44N2 — CID 140905623

IUPACN-(9,9-dimethylfluoren-2-yl)-3,3-dimethyl-16-phenyl-N-(3-phenylphenyl)-16-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaen-20-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)c3cc5c6c(ccc5cc3n4-c3ccccc3)-c3ccccc3C6(C)C)cc21
InChIInChI=1S/C58H44N2/c1-57(2)51-24-13-11-22-44(51)46-30-27-43(35-53(46)57)59(41-21-15-18-38(32-41)37-16-7-5-8-17-37)42-28-31-54-49(34-42)50-36-48-39(33-55(50)60(54)40-19-9-6-10-20-40)26-29-47-45-23-12-14-25-52(45)58(3,4)56(47)48/h5-36H,1-4H3
InChIKeyQVYGBCXXZCXTHS-UHFFFAOYSA-N
MW769.00 g/mol
LogP15.69
Rot. Bonds5

About N-(9,9-dimethylfluoren-2-yl)-3,3-dimethyl-16-phenyl-N-(3-phenylphenyl)-16-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaen-20-amine

N-(9,9-dimethylfluoren-2-yl)-3,3-dimethyl-16-phenyl-N-(3-phenylphenyl)-16-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaen-20-amine (PubChem CID 140905623) has the molecular formula C58H44N2 and a molecular weight of 769.00 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-3,3-dimethyl-16-phenyl-N-(3-phenylphenyl)-16-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaen-20-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-3,3-dimethyl-16-phenyl-N-(3-phenylphenyl)-16-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaen-20-amine
PubChem CID140905623
Molecular FormulaC58H44N2
Molecular Weight769.00 g/mol
Exact Mass768.35
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-3,3-dimethyl-16-phenyl-N-(3-phenylphenyl)-16-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaen-20-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)c3cc5c6c(ccc5cc3n4-c3ccccc3)-c3ccccc3C6(C)C)cc21
InChIInChI=1S/C58H44N2/c1-57(2)51-24-13-11-22-44(51)46-30-27-43(35-53(46)57)59(41-21-15-18-38(32-41)37-16-7-5-8-17-37)42-28-31-54-49(34-42)50-36-48-39(33-55(50)60(54)40-19-9-6-10-20-40)26-29-47-45-23-12-14-25-52(45)58(3,4)56(47)48/h5-36H,1-4H3
InChIKeyQVYGBCXXZCXTHS-UHFFFAOYSA-N
XLogP15.69
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500769.00
LogP ≤ 515.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(9,9-dimethylfluoren-2-yl)-3,3-dimethyl-16-phenyl-N-(3-phenylphenyl)-16-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaen-20-amine with MolForge

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Related Compounds

3-(3,3-dimethyl-16-phenyl-16-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaen-20-yl)-N,N-bis(4-phenylphenyl)aniline
CID 140905740
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)fluoren-2-amine
CID 59171718
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(9-phenylcarbazol-3-yl)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-(4-phenylphenyl)-N-[4-[4-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 159095793
9,9-dimethyl-N-[4-[4-(7-phenylbenzo[c]carbazol-10-yl)phenyl]phenyl]-N-(3-phenylphenyl)fluoren-2-amine
CID 156513111
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-5-phenyl-N-(4-phenylphenyl)indeno[2,1-b]carbazol-2-amine
CID 66798022
9,9-dimethyl-N-naphthalen-2-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine
CID 129085046
22,22-dimethyl-N,N-diphenyl-10-(4-phenylphenyl)-10-azahexacyclo[11.11.0.03,11.04,9.015,23.016,21]tetracosa-1,3(11),4(9),5,7,12,14,16,18,20,23-undecaen-6-amine
CID 118668017
9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]fluoren-2-amine;9,9-dimethyl-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-amine
CID 159828144
N-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N,4-diphenylaniline
CID 167527113
9,9-dimethyl-N-naphthalen-2-yl-N-[3-[3-[9-(4-phenylphenyl)carbazol-3-yl]phenyl]phenyl]fluoren-2-amine
CID 90393480
4-N-(9,9-dimethylfluoren-2-yl)-1-N-[4-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)phenyl]-1-N,4-N-diphenylbenzene-1,4-diamine
CID 163439263
N-[4-[4-(5,11-diphenylindolo[3,2-b]carbazol-2-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 58454141

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-3,3-dimethyl-16-phenyl-N-(3-phenylphenyl)-16-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaen-20-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-3,3-dimethyl-16-phenyl-N-(3-phenylphenyl)-16-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaen-20-amine (CID 140905623) is N-(9,9-dimethylfluoren-2-yl)-3,3-dimethyl-16-phenyl-N-(3-phenylphenyl)-16-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaen-20-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-3,3-dimethyl-16-phenyl-N-(3-phenylphenyl)-16-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaen-20-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-3,3-dimethyl-16-phenyl-N-(3-phenylphenyl)-16-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaen-20-amine is CC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccccc4)c3)c3ccc4c(c3)c3cc5c6c(ccc5cc3n4-c3ccccc3)-c3ccccc3C6(C)C)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-3,3-dimethyl-16-phenyl-N-(3-phenylphenyl)-16-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaen-20-amine?
The InChIKey is QVYGBCXXZCXTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H44N2/c1-57(2)51-24-13-11-22-44(51)46-30-27-43(35-53(46)57)59(41-21-15-18-38(32-41)37-16-7-5-8-17-37)42-28-31-54-49(34-42)50-36-48-39(33-55(50)60(54)40-19-9-6-10-20-40)26-29-47-45-23-12-14-25-52(45)58(3,4)56(47)48/h5-36H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-3,3-dimethyl-16-phenyl-N-(3-phenylphenyl)-16-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaen-20-amine?
N-(9,9-dimethylfluoren-2-yl)-3,3-dimethyl-16-phenyl-N-(3-phenylphenyl)-16-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaen-20-amine has a molecular weight of 769.00 g/mol, XLogP of 15.69, 5 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)-3,3-dimethyl-16-phenyl-N-(3-phenylphenyl)-16-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaen-20-amine is sourced from PubChem (CID 140905623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).