9,9-dimethyl-N,N-bis(2-methylphenyl)-7-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]fluoren-2-amine

C51H40N2 — CID 90363882

IUPAC9,9-dimethyl-N,N-bis(2-methylphenyl)-7-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]fluoren-2-amine
SMILESCc1ccccc1N(c1ccc2c(c1)C(C)(C)c1cc(/C=C/c3cc4ccc5cccc6c5c4c(c3)n6-c3ccccc3)ccc1-2)c1ccccc1C
InChIInChI=1S/C51H40N2/c1-33-13-8-10-18-45(33)53(46-19-11-9-14-34(46)2)40-26-28-42-41-27-23-35(30-43(41)51(3,4)44(42)32-40)21-22-36-29-38-25-24-37-15-12-20-47-49(37)50(38)48(31-36)52(47)39-16-6-5-7-17-39/h5-32H,1-4H3/b22-21+
InChIKeyPAYJWOWFZYEJEN-QURGRASLSA-N
MW680.90 g/mol
LogP13.94
Rot. Bonds6

About 9,9-dimethyl-N,N-bis(2-methylphenyl)-7-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]fluoren-2-amine

9,9-dimethyl-N,N-bis(2-methylphenyl)-7-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]fluoren-2-amine (PubChem CID 90363882) has the molecular formula C51H40N2 and a molecular weight of 680.90 g/mol. Its IUPAC name is 9,9-dimethyl-N,N-bis(2-methylphenyl)-7-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N,N-bis(2-methylphenyl)-7-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]fluoren-2-amine
PubChem CID90363882
Molecular FormulaC51H40N2
Molecular Weight680.90 g/mol
Exact Mass680.32
IUPAC Name9,9-dimethyl-N,N-bis(2-methylphenyl)-7-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]fluoren-2-amine
SMILESCc1ccccc1N(c1ccc2c(c1)C(C)(C)c1cc(/C=C/c3cc4ccc5cccc6c5c4c(c3)n6-c3ccccc3)ccc1-2)c1ccccc1C
InChIInChI=1S/C51H40N2/c1-33-13-8-10-18-45(33)53(46-19-11-9-14-34(46)2)40-26-28-42-41-27-23-35(30-43(41)51(3,4)44(42)32-40)21-22-36-29-38-25-24-37-15-12-20-47-49(37)50(38)48(31-36)52(47)39-16-6-5-7-17-39/h5-32H,1-4H3/b22-21+
InChIKeyPAYJWOWFZYEJEN-QURGRASLSA-N
XLogP13.94
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500680.90
LogP ≤ 513.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 9,9-dimethyl-N,N-bis(2-methylphenyl)-7-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]fluoren-2-amine with MolForge

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Related Compounds

7-[(E)-2-[7-[(E)-2-[9,9-dimethyl-7-(2-methyl-N-(2-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-bis(2-methylphenyl)fluoren-2-amine
CID 59246550
9,9-dimethyl-N,N-bis(2-methylphenyl)-7-[(E)-2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine
CID 89068124
7-[2-[9,9-dimethyl-7-(2-methyl-N-naphthalen-1-ylanilino)fluoren-2-yl]ethenyl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 90896826
N-[4-[2-(15,15-dimethyl-3-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaenyl)ethenyl]phenyl]-2-methyl-N-(2-methylphenyl)aniline
CID 123222389
N-(3,5-dimethylphenyl)-7-[(E)-2-[7-(N-(3,5-dimethylphenyl)-2-methylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethyl-N-(2-methylphenyl)fluoren-2-amine
CID 89068057
7-[(E)-2-[7-[(E)-2-[7-(4-methoxy-N-(2-methylphenyl)anilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-N-(4-methoxyphenyl)-9,9-dimethyl-N-(2-methylphenyl)fluoren-2-amine
CID 59246059
N-[4-(15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaen-15-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 90128462
7-[(E)-2-[6-[(E)-2-[9,9-dimethyl-7-(3-methyl-N-(3-methylphenyl)anilino)fluoren-2-yl]ethenyl]-9-phenylcarbazol-3-yl]ethenyl]-9,9-dimethyl-N,N-bis(3-methylphenyl)fluoren-2-amine
CID 59246344
N-phenyl-N-[4-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]phenyl]phenanthren-9-amine
CID 90363921
9,9-dimethyl-N,N-dinaphthalen-1-yl-7-[2-[4-(N-phenylanilino)phenyl]ethenyl]fluoren-2-amine
CID 76639589
9,9-dimethyl-N-naphthalen-1-yl-N-phenyl-7-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)fluoren-2-amine
CID 90148461
3,3,24,24-tetramethyl-6-N,6-N,21-N,21-N-tetrakis(2-methylphenyl)octacyclo[13.13.2.02,10.04,9.012,29.017,25.018,23.026,30]triaconta-1(29),2(10),4(9),5,7,11,13,15,17(25),18(23),19,21,26(30),27-tetradecaene-6,21-diamine
CID 118133914

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N,N-bis(2-methylphenyl)-7-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N,N-bis(2-methylphenyl)-7-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]fluoren-2-amine (CID 90363882) is 9,9-dimethyl-N,N-bis(2-methylphenyl)-7-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N,N-bis(2-methylphenyl)-7-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N,N-bis(2-methylphenyl)-7-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]fluoren-2-amine is Cc1ccccc1N(c1ccc2c(c1)C(C)(C)c1cc(/C=C/c3cc4ccc5cccc6c5c4c(c3)n6-c3ccccc3)ccc1-2)c1ccccc1C.
What is the InChIKey of 9,9-dimethyl-N,N-bis(2-methylphenyl)-7-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]fluoren-2-amine?
The InChIKey is PAYJWOWFZYEJEN-QURGRASLSA-N. The full InChI is InChI=1S/C51H40N2/c1-33-13-8-10-18-45(33)53(46-19-11-9-14-34(46)2)40-26-28-42-41-27-23-35(30-43(41)51(3,4)44(42)32-40)21-22-36-29-38-25-24-37-15-12-20-47-49(37)50(38)48(31-36)52(47)39-16-6-5-7-17-39/h5-32H,1-4H3/b22-21+.
What are the key properties of 9,9-dimethyl-N,N-bis(2-methylphenyl)-7-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]fluoren-2-amine?
9,9-dimethyl-N,N-bis(2-methylphenyl)-7-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]fluoren-2-amine has a molecular weight of 680.90 g/mol, XLogP of 13.94, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N,N-bis(2-methylphenyl)-7-[(E)-2-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-yl)ethenyl]fluoren-2-amine is sourced from PubChem (CID 90363882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).