N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-6-(19-thiapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-2-yl)pyridin-2-amine

C53H38N2S — CID 169060781

IUPACN-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-6-(19-thiapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-2-yl)pyridin-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccc5c6ccccc6c6cccc7sc4c5c76)n3)c3cccc4c3-c3ccccc3C4(C)C)cc21
InChIInChI=1S/C53H38N2S/c1-52(2)41-20-10-8-17-38(41)48-42(52)21-12-23-45(48)55(31-26-27-35-34-16-7-9-19-40(34)53(3,4)43(35)30-31)47-25-13-22-44(54-47)39-29-28-37-33-15-6-5-14-32(33)36-18-11-24-46-49(36)50(37)51(39)56-46/h5-30H,1-4H3
InChIKeyBJKWCIKBOLWNQR-UHFFFAOYSA-N
MW734.97 g/mol
LogP14.94
Rot. Bonds4

About N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-6-(19-thiapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-2-yl)pyridin-2-amine

N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-6-(19-thiapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-2-yl)pyridin-2-amine (PubChem CID 169060781) has the molecular formula C53H38N2S and a molecular weight of 734.97 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-6-(19-thiapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-2-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-6-(19-thiapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-2-yl)pyridin-2-amine
PubChem CID169060781
Molecular FormulaC53H38N2S
Molecular Weight734.97 g/mol
Exact Mass734.28
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-6-(19-thiapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-2-yl)pyridin-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccc5c6ccccc6c6cccc7sc4c5c76)n3)c3cccc4c3-c3ccccc3C4(C)C)cc21
InChIInChI=1S/C53H38N2S/c1-52(2)41-20-10-8-17-38(41)48-42(52)21-12-23-45(48)55(31-26-27-35-34-16-7-9-19-40(34)53(3,4)43(35)30-31)47-25-13-22-44(54-47)39-29-28-37-33-15-6-5-14-32(33)36-18-11-24-46-49(36)50(37)51(39)56-46/h5-30H,1-4H3
InChIKeyBJKWCIKBOLWNQR-UHFFFAOYSA-N
XLogP14.94
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500734.97
LogP ≤ 514.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-6-(19-thiapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-2-yl)pyridin-2-amine with MolForge

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Related Compounds

N,N-bis(9,9-dimethylfluoren-2-yl)-19-thiapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-2-amine
CID 169060611
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)naphtho[2,1-b][1]benzothiol-6-amine
CID 166028578
N-(9,9-dimethylfluoren-2-yl)-N-(9,9'-spirobi[fluorene]-4-yl)dibenzothiophen-4-amine
CID 167176690
N-(2-dibenzothiophen-3-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-2-amine
CID 139568036
7,7-dimethyl-5-[6-(19-thiapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-2-yl)-2-pyridinyl]indeno[2,1-b]carbazole
CID 169060935
N-(9,9-dimethylfluoren-2-yl)-N-[1-(4-naphthalen-1-ylphenyl)triphenylen-2-yl]dibenzothiophen-4-amine
CID 177294684
N-chrysen-2-yl-N-(9,9-dimethylfluoren-4-yl)dibenzothiophen-3-amine
CID 170139933
N-(2-dibenzothiophen-4-ylphenyl)-N-(9,9-dimethylfluoren-4-yl)-9,9-dimethylfluoren-3-amine
CID 139568162
N-(9,9-dimethylfluoren-2-yl)-N-phenylnaphtho[2,1-b][1]benzothiol-1-amine
CID 146295016
N-[2-(9,9-dimethylfluoren-1-yl)phenyl]-9,9-dimethyl-N-(2-naphtho[1,2-b][1]benzothiol-7-ylphenyl)fluoren-2-amine
CID 170216934
N-(9,9-dimethylfluoren-4-yl)-N-phenylnaphtho[2,1-b][1]benzothiol-3-amine
CID 170043602
N-(2-dibenzothiophen-4-yl-3-naphthalen-1-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 167293399

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-6-(19-thiapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-2-yl)pyridin-2-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-6-(19-thiapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-2-yl)pyridin-2-amine (CID 169060781) is N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-6-(19-thiapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-2-yl)pyridin-2-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-6-(19-thiapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-2-yl)pyridin-2-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-6-(19-thiapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-2-yl)pyridin-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3cccc(-c4ccc5c6ccccc6c6cccc7sc4c5c76)n3)c3cccc4c3-c3ccccc3C4(C)C)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-6-(19-thiapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-2-yl)pyridin-2-amine?
The InChIKey is BJKWCIKBOLWNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H38N2S/c1-52(2)41-20-10-8-17-38(41)48-42(52)21-12-23-45(48)55(31-26-27-35-34-16-7-9-19-40(34)53(3,4)43(35)30-31)47-25-13-22-44(54-47)39-29-28-37-33-15-6-5-14-32(33)36-18-11-24-46-49(36)50(37)51(39)56-46/h5-30H,1-4H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-6-(19-thiapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-2-yl)pyridin-2-amine?
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-6-(19-thiapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-2-yl)pyridin-2-amine has a molecular weight of 734.97 g/mol, XLogP of 14.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethylfluoren-4-yl)-6-(19-thiapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-2-yl)pyridin-2-amine is sourced from PubChem (CID 169060781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).