9,9-dimethyl-N-phenyl-N-[4-(18-thia-6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1,3,5(17),7(16),8,10(15),11,13-octaen-6-yl)phenyl]fluoren-2-amine

C43H30N2S — CID 158567937

IUPAC9,9-dimethyl-N-phenyl-N-[4-(18-thia-6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1,3,5(17),7(16),8,10(15),11,13-octaen-6-yl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-n4c5cccc6c5c5c7c(cccc7ccc54)S6)cc3)cc21
InChIInChI=1S/C43H30N2S/c1-43(2)34-14-7-6-13-32(34)33-24-23-31(26-35(33)43)44(28-11-4-3-5-12-28)29-19-21-30(22-20-29)45-36-15-9-17-39-41(36)42-37(45)25-18-27-10-8-16-38(46-39)40(27)42/h3-26H,1-2H3
InChIKeyNYFWDJUBQSHUSM-UHFFFAOYSA-N
MW606.79 g/mol
LogP12.18
Rot. Bonds4

About 9,9-dimethyl-N-phenyl-N-[4-(18-thia-6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1,3,5(17),7(16),8,10(15),11,13-octaen-6-yl)phenyl]fluoren-2-amine

9,9-dimethyl-N-phenyl-N-[4-(18-thia-6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1,3,5(17),7(16),8,10(15),11,13-octaen-6-yl)phenyl]fluoren-2-amine (PubChem CID 158567937) has the molecular formula C43H30N2S and a molecular weight of 606.79 g/mol. Its IUPAC name is 9,9-dimethyl-N-phenyl-N-[4-(18-thia-6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1,3,5(17),7(16),8,10(15),11,13-octaen-6-yl)phenyl]fluoren-2-amine.

Molecular Properties

Compound Name9,9-dimethyl-N-phenyl-N-[4-(18-thia-6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1,3,5(17),7(16),8,10(15),11,13-octaen-6-yl)phenyl]fluoren-2-amine
PubChem CID158567937
Molecular FormulaC43H30N2S
Molecular Weight606.79 g/mol
Exact Mass606.21
IUPAC Name9,9-dimethyl-N-phenyl-N-[4-(18-thia-6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1,3,5(17),7(16),8,10(15),11,13-octaen-6-yl)phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-n4c5cccc6c5c5c7c(cccc7ccc54)S6)cc3)cc21
InChIInChI=1S/C43H30N2S/c1-43(2)34-14-7-6-13-32(34)33-24-23-31(26-35(33)43)44(28-11-4-3-5-12-28)29-19-21-30(22-20-29)45-36-15-9-17-39-41(36)42-37(45)25-18-27-10-8-16-38(46-39)40(27)42/h3-26H,1-2H3
InChIKeyNYFWDJUBQSHUSM-UHFFFAOYSA-N
XLogP12.18
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.79
LogP ≤ 512.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9,9-dimethyl-N-phenyl-N-[4-(18-thia-6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1,3,5(17),7(16),8,10(15),11,13-octaen-6-yl)phenyl]fluoren-2-amine with MolForge

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Related Compounds

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
N-(4-benzo[c]carbazol-7-ylphenyl)-9,9-dimethyl-N-phenylfluoren-2-amine
CID 168771532
N-[4-[3-(9-azahexacyclo[11.8.0.02,10.03,8.04,20.016,21]henicosa-1(13),2(10),3,5,7,11,14,16(21),17,19-decaen-9-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 164845717
9,9-dimethyl-N-[4-(1-phenylbenzo[c]carbazol-7-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 177101254
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-3-amine;N-(9,9-dimethylfluoren-3-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-3-amine
CID 165052697
N-(9,9-dimethylfluoren-4-yl)-9-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine;9-(9,9-dimethylfluoren-2-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine;9-(9,9-dimethylfluoren-3-yl)-N-phenyl-N-spiro[benzo[a]phenalene-7,9'-thioxanthene]-9-ylcarbazol-2-amine
CID 164961963
4-[4-(23-azahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8,10,12,14,16,18(22),19-undecaen-23-yl)phenyl]-N,N-diphenylaniline;N-[4-[4-(9,23-diazahexacyclo[12.7.1.13,21.02,7.08,13.018,22]tricosa-1(21),2(7),3,5,8(13),9,11,14,16,18(22),19-undecaen-23-yl)phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 161345718
N-(9,9-dimethylfluoren-2-yl)-6-naphthalen-2-yl-N-phenylspiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10,12,14-octaene-18,9'-fluorene]-12-amine
CID 167126746
N-(4-carbazol-9-ylphenyl)-9,9-dimethyl-N-naphthalen-2-ylfluoren-2-amine
CID 58969347
4-N-[9,9-dimethyl-7-[15-(4-phenylphenyl)-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl]fluoren-2-yl]-1-N,1-N-diphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 90148476
9,9-dimethyl-N-[4-[4-(11-oxa-30-azaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaen-30-yl)phenyl]phenyl]-N-phenylfluoren-2-amine;4-[4-(11-oxa-30-azaoctacyclo[19.7.1.13,28.02,7.08,20.010,18.012,17.025,29]triaconta-1(28),2(7),3,5,8(20),9,12,14,16,18,21,23,25(29),26-tetradecaen-30-yl)phenyl]-N,N-diphenylaniline
CID 160841471
N-(9,9-dimethylfluoren-2-yl)-9-phenyl-N-[4-(15-phenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-4-yl)phenyl]carbazol-3-amine
CID 90148439

Frequently Asked Questions

What is the IUPAC name of 9,9-dimethyl-N-phenyl-N-[4-(18-thia-6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1,3,5(17),7(16),8,10(15),11,13-octaen-6-yl)phenyl]fluoren-2-amine?
The IUPAC name of 9,9-dimethyl-N-phenyl-N-[4-(18-thia-6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1,3,5(17),7(16),8,10(15),11,13-octaen-6-yl)phenyl]fluoren-2-amine (CID 158567937) is 9,9-dimethyl-N-phenyl-N-[4-(18-thia-6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1,3,5(17),7(16),8,10(15),11,13-octaen-6-yl)phenyl]fluoren-2-amine.
What is the SMILES notation for 9,9-dimethyl-N-phenyl-N-[4-(18-thia-6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1,3,5(17),7(16),8,10(15),11,13-octaen-6-yl)phenyl]fluoren-2-amine?
The canonical SMILES for 9,9-dimethyl-N-phenyl-N-[4-(18-thia-6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1,3,5(17),7(16),8,10(15),11,13-octaen-6-yl)phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-n4c5cccc6c5c5c7c(cccc7ccc54)S6)cc3)cc21.
What is the InChIKey of 9,9-dimethyl-N-phenyl-N-[4-(18-thia-6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1,3,5(17),7(16),8,10(15),11,13-octaen-6-yl)phenyl]fluoren-2-amine?
The InChIKey is NYFWDJUBQSHUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H30N2S/c1-43(2)34-14-7-6-13-32(34)33-24-23-31(26-35(33)43)44(28-11-4-3-5-12-28)29-19-21-30(22-20-29)45-36-15-9-17-39-41(36)42-37(45)25-18-27-10-8-16-38(46-39)40(27)42/h3-26H,1-2H3.
What are the key properties of 9,9-dimethyl-N-phenyl-N-[4-(18-thia-6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1,3,5(17),7(16),8,10(15),11,13-octaen-6-yl)phenyl]fluoren-2-amine?
9,9-dimethyl-N-phenyl-N-[4-(18-thia-6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1,3,5(17),7(16),8,10(15),11,13-octaen-6-yl)phenyl]fluoren-2-amine has a molecular weight of 606.79 g/mol, XLogP of 12.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethyl-N-phenyl-N-[4-(18-thia-6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1,3,5(17),7(16),8,10(15),11,13-octaen-6-yl)phenyl]fluoren-2-amine is sourced from PubChem (CID 158567937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).