N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)tetracyclo[8.6.0.03,8.011,16]hexadeca-1,3,5,7,9,11(16),12,14-octaen-12-amine

C43H31N — CID 166031628

IUPACN-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)tetracyclo[8.6.0.03,8.011,16]hexadeca-1,3,5,7,9,11(16),12,14-octaen-12-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3-c3cc5ccccc5cc3-4)cc21
InChIInChI=1S/C43H31N/c1-43(2)39-17-9-8-15-34(39)35-24-23-33(27-40(35)43)44(32-21-19-29(20-22-32)28-11-4-3-5-12-28)41-18-10-16-36-37-25-30-13-6-7-14-31(30)26-38(37)42(36)41/h3-27H,1-2H3
InChIKeyXAKKYYXMLJKLJX-UHFFFAOYSA-N
MW561.73 g/mol
LogP11.93
Rot. Bonds4

About N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)tetracyclo[8.6.0.03,8.011,16]hexadeca-1,3,5,7,9,11(16),12,14-octaen-12-amine

N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)tetracyclo[8.6.0.03,8.011,16]hexadeca-1,3,5,7,9,11(16),12,14-octaen-12-amine (PubChem CID 166031628) has the molecular formula C43H31N and a molecular weight of 561.73 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)tetracyclo[8.6.0.03,8.011,16]hexadeca-1,3,5,7,9,11(16),12,14-octaen-12-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)tetracyclo[8.6.0.03,8.011,16]hexadeca-1,3,5,7,9,11(16),12,14-octaen-12-amine
PubChem CID166031628
Molecular FormulaC43H31N
Molecular Weight561.73 g/mol
Exact Mass561.25
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)tetracyclo[8.6.0.03,8.011,16]hexadeca-1,3,5,7,9,11(16),12,14-octaen-12-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3-c3cc5ccccc5cc3-4)cc21
InChIInChI=1S/C43H31N/c1-43(2)39-17-9-8-15-34(39)35-24-23-33(27-40(35)43)44(32-21-19-29(20-22-32)28-11-4-3-5-12-28)41-18-10-16-36-37-25-30-13-6-7-14-31(30)26-38(37)42(36)41/h3-27H,1-2H3
InChIKeyXAKKYYXMLJKLJX-UHFFFAOYSA-N
XLogP11.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500561.73
LogP ≤ 511.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)tetracyclo[8.6.0.03,8.011,16]hexadeca-1,3,5,7,9,11(16),12,14-octaen-12-amine with MolForge

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Related Compounds

9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 167285492
9,9-dimethyl-N-(2-naphthalen-2-yl-3-phenylphenyl)-N-phenylfluoren-2-amine
CID 167293376
9,9-dimethyl-N-(4-phenylphenyl)-N-[3-phenyl-2-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 167285595
9,9-dimethyl-N-[4-(3-phenylnaphthalen-2-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 139352574
9,9-dimethyl-N-(2-phenanthren-9-yl-3-phenylphenyl)-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 177274896
N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-N-(4-phenylphenyl)indeno[1,2-b]fluoren-4-amine
CID 138461764
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[3-(2-phenylphenyl)-2-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 167285846
N,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-9-phenylbenzo[a]phenalen-1-amine
CID 167232083
9,9-dimethyl-N-[3-phenanthren-1-yl-2-(4-phenylphenyl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 177274610
11,11-dimethyl-N-(3-phenanthren-9-yl-2-phenylphenyl)-N-(4-phenylphenyl)benzo[b]fluoren-2-amine
CID 177274467
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenyl-N-[3-phenyl-2-(2-phenylphenyl)phenyl]fluoren-2-amine
CID 168788568
1-N-(9,9-dimethylfluoren-2-yl)-4-N-naphthalen-1-yl-4-N-[4-[N-naphthalen-1-yl-4-[4-(N-phenylanilino)phenyl]anilino]phenyl]-1-N-phenylbenzene-1,4-diamine
CID 59025130

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)tetracyclo[8.6.0.03,8.011,16]hexadeca-1,3,5,7,9,11(16),12,14-octaen-12-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)tetracyclo[8.6.0.03,8.011,16]hexadeca-1,3,5,7,9,11(16),12,14-octaen-12-amine (CID 166031628) is N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)tetracyclo[8.6.0.03,8.011,16]hexadeca-1,3,5,7,9,11(16),12,14-octaen-12-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)tetracyclo[8.6.0.03,8.011,16]hexadeca-1,3,5,7,9,11(16),12,14-octaen-12-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)tetracyclo[8.6.0.03,8.011,16]hexadeca-1,3,5,7,9,11(16),12,14-octaen-12-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3-c3cc5ccccc5cc3-4)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)tetracyclo[8.6.0.03,8.011,16]hexadeca-1,3,5,7,9,11(16),12,14-octaen-12-amine?
The InChIKey is XAKKYYXMLJKLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31N/c1-43(2)39-17-9-8-15-34(39)35-24-23-33(27-40(35)43)44(32-21-19-29(20-22-32)28-11-4-3-5-12-28)41-18-10-16-36-37-25-30-13-6-7-14-31(30)26-38(37)42(36)41/h3-27H,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)tetracyclo[8.6.0.03,8.011,16]hexadeca-1,3,5,7,9,11(16),12,14-octaen-12-amine?
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)tetracyclo[8.6.0.03,8.011,16]hexadeca-1,3,5,7,9,11(16),12,14-octaen-12-amine has a molecular weight of 561.73 g/mol, XLogP of 11.93, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)tetracyclo[8.6.0.03,8.011,16]hexadeca-1,3,5,7,9,11(16),12,14-octaen-12-amine is sourced from PubChem (CID 166031628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).