3-N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-1-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-dinaphthalen-2-yl-5-(5-phenyl-[1]benzothiolo[2,3-g]carbazol-3-yl)benzene-1,3-diamine

C80H59N3S — CID 118485804

IUPAC3-N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-1-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-dinaphthalen-2-yl-5-(5-phenyl-[1]benzothiolo[2,3-g]carbazol-3-yl)benzene-1,3-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cc(-c4ccc5c6c7sc8ccccc8c7ccc6n(-c6ccccc6)c5c4)cc(N(C4=CC5C(C=C4)c4ccccc4C5(C)C)c4ccc5ccccc5c4)c3)c3ccc4ccccc4c3)cc21
InChIInChI=1S/C80H59N3S/c1-79(2)70-27-15-12-24-63(70)65-38-35-59(48-72(65)79)81(57-33-30-50-18-8-10-20-52(50)42-57)61-44-55(54-32-37-69-75(46-54)83(56-22-6-5-7-23-56)74-41-40-68-67-26-14-17-29-76(67)84-78(68)77(69)74)45-62(47-61)82(58-34-31-51-19-9-11-21-53(51)43-58)60-36-39-66-64-25-13-16-28-71(64)80(3,4)73(66)49-60/h5-49,65,72H,1-4H3
InChIKeyQMXOQRWFKWRCLY-UHFFFAOYSA-N
MW1094.44 g/mol
LogP22.18
Rot. Bonds8

About 3-N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-1-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-dinaphthalen-2-yl-5-(5-phenyl-[1]benzothiolo[2,3-g]carbazol-3-yl)benzene-1,3-diamine

3-N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-1-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-dinaphthalen-2-yl-5-(5-phenyl-[1]benzothiolo[2,3-g]carbazol-3-yl)benzene-1,3-diamine (PubChem CID 118485804) has the molecular formula C80H59N3S and a molecular weight of 1094.44 g/mol. Its IUPAC name is 3-N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-1-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-dinaphthalen-2-yl-5-(5-phenyl-[1]benzothiolo[2,3-g]carbazol-3-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-1-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-dinaphthalen-2-yl-5-(5-phenyl-[1]benzothiolo[2,3-g]carbazol-3-yl)benzene-1,3-diamine
PubChem CID118485804
Molecular FormulaC80H59N3S
Molecular Weight1094.44 g/mol
Exact Mass1093.44
IUPAC Name3-N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-1-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-dinaphthalen-2-yl-5-(5-phenyl-[1]benzothiolo[2,3-g]carbazol-3-yl)benzene-1,3-diamine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3cc(-c4ccc5c6c7sc8ccccc8c7ccc6n(-c6ccccc6)c5c4)cc(N(C4=CC5C(C=C4)c4ccccc4C5(C)C)c4ccc5ccccc5c4)c3)c3ccc4ccccc4c3)cc21
InChIInChI=1S/C80H59N3S/c1-79(2)70-27-15-12-24-63(70)65-38-35-59(48-72(65)79)81(57-33-30-50-18-8-10-20-52(50)42-57)61-44-55(54-32-37-69-75(46-54)83(56-22-6-5-7-23-56)74-41-40-68-67-26-14-17-29-76(67)84-78(68)77(69)74)45-62(47-61)82(58-34-31-51-19-9-11-21-53(51)43-58)60-36-39-66-64-25-13-16-28-71(64)80(3,4)73(66)49-60/h5-49,65,72H,1-4H3
InChIKeyQMXOQRWFKWRCLY-UHFFFAOYSA-N
XLogP22.18
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms84
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001094.44
LogP ≤ 522.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-1-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-dinaphthalen-2-yl-5-(5-phenyl-[1]benzothiolo[2,3-g]carbazol-3-yl)benzene-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-1-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-diphenyl-5-(5-phenyl-[1]benzothiolo[2,3-g]carbazol-3-yl)benzene-1,3-diamine
CID 118485800
3-N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-1-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-dinaphthalen-1-yl-5-(5-phenyl-[1]benzothiolo[2,3-g]carbazol-3-yl)benzene-1,3-diamine
CID 118485801
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-(5-phenyl-[1]benzothiolo[2,3-g]carbazol-3-yl)phenyl]fluoren-2-amine
CID 89448271
4-N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-4-N-[9,9-dimethyl-7-(9-phenylcarbazol-3-yl)fluoren-2-yl]-1-N,1-N-diphenylbenzene-1,4-diamine
CID 70917255
1-N,3-N-dinaphthalen-2-yl-5-(5-phenyl-[1]benzothiolo[2,3-g]carbazol-3-yl)-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 89448343
N-[4-([1]benzothiolo[3,2-c]carbazol-5-yl)phenyl]-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-amine
CID 66585302
9,9-dimethyl-N-naphthalen-2-yl-N-[3-(9-phenylcarbazol-2-yl)phenyl]fluoren-2-amine
CID 129085046
9,9-dimethyl-N-(3-phenylphenyl)-N-[4-[22-(4-phenylphenyl)-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16(21),17,19-undecaen-18-yl]phenyl]fluoren-2-amine
CID 126621573
3-N-(9-phenyl-4a,9a-dihydrocarbazol-3-yl)-5-(5-phenyl-[1]benzothiolo[3,2-c]carbazol-2-yl)-1-N,1-N,3-N-tris(9-phenylcarbazol-3-yl)benzene-1,3-diamine
CID 118485799
7-(4,26-dithia-15-azaheptacyclo[14.11.0.02,14.03,11.05,10.019,27.020,25]heptacosa-1(16),2(14),3(11),5,7,9,12,17,19(27),20,22,24-dodecaen-15-yl)-9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-2-amine
CID 118242869
1-N,3-N-bis(9,9-dimethylfluoren-2-yl)-1-N,3-N-bis(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzene-1,3-diamine;1-N-dibenzofuran-3-yl-3-N-dibenzothiophen-3-yl-1-N,3-N-bis(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzene-1,3-diamine;1-N-dibenzofuran-3-yl-3-N-dibenzothiophen-3-yl-1-N,3-N-diphenyl-5-[9-(4-phenylphenyl)carbazol-2-yl]benzene-1,3-diamine;1-N,3-N-di(dibenzothiophen-3-yl)-1-N,3-N-bis(4-phenylphenyl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzene-1,3-diamine;1-N,3-N-dinaphthalen-2-yl-1-N,3-N-diphenyl-5-[9-(4-phenylphenyl)carbazol-2-yl]benzene-1,3-diamine;1-N,3-N-diphenyl-1-N,3-N-bis(6-phenylnaphthalen-2-yl)-5-[9-(4-phenylphenyl)carbazol-2-yl]benzene-1,3-diamine
CID 159629096
9,9-dimethyl-N-naphthalen-2-yl-N-(4-naphtho[1,2-b][1]benzothiol-4-ylphenyl)fluoren-2-amine
CID 177079863

Frequently Asked Questions

What is the IUPAC name of 3-N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-1-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-dinaphthalen-2-yl-5-(5-phenyl-[1]benzothiolo[2,3-g]carbazol-3-yl)benzene-1,3-diamine?
The IUPAC name of 3-N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-1-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-dinaphthalen-2-yl-5-(5-phenyl-[1]benzothiolo[2,3-g]carbazol-3-yl)benzene-1,3-diamine (CID 118485804) is 3-N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-1-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-dinaphthalen-2-yl-5-(5-phenyl-[1]benzothiolo[2,3-g]carbazol-3-yl)benzene-1,3-diamine.
What is the SMILES notation for 3-N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-1-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-dinaphthalen-2-yl-5-(5-phenyl-[1]benzothiolo[2,3-g]carbazol-3-yl)benzene-1,3-diamine?
The canonical SMILES for 3-N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-1-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-dinaphthalen-2-yl-5-(5-phenyl-[1]benzothiolo[2,3-g]carbazol-3-yl)benzene-1,3-diamine is CC1(C)c2ccccc2-c2ccc(N(c3cc(-c4ccc5c6c7sc8ccccc8c7ccc6n(-c6ccccc6)c5c4)cc(N(C4=CC5C(C=C4)c4ccccc4C5(C)C)c4ccc5ccccc5c4)c3)c3ccc4ccccc4c3)cc21.
What is the InChIKey of 3-N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-1-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-dinaphthalen-2-yl-5-(5-phenyl-[1]benzothiolo[2,3-g]carbazol-3-yl)benzene-1,3-diamine?
The InChIKey is QMXOQRWFKWRCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C80H59N3S/c1-79(2)70-27-15-12-24-63(70)65-38-35-59(48-72(65)79)81(57-33-30-50-18-8-10-20-52(50)42-57)61-44-55(54-32-37-69-75(46-54)83(56-22-6-5-7-23-56)74-41-40-68-67-26-14-17-29-76(67)84-78(68)77(69)74)45-62(47-61)82(58-34-31-51-19-9-11-21-53(51)43-58)60-36-39-66-64-25-13-16-28-71(64)80(3,4)73(66)49-60/h5-49,65,72H,1-4H3.
What are the key properties of 3-N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-1-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-dinaphthalen-2-yl-5-(5-phenyl-[1]benzothiolo[2,3-g]carbazol-3-yl)benzene-1,3-diamine?
3-N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-1-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-dinaphthalen-2-yl-5-(5-phenyl-[1]benzothiolo[2,3-g]carbazol-3-yl)benzene-1,3-diamine has a molecular weight of 1094.44 g/mol, XLogP of 22.18, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(9,9-dimethyl-4a,9a-dihydrofluoren-2-yl)-1-N-(9,9-dimethylfluoren-2-yl)-1-N,3-N-dinaphthalen-2-yl-5-(5-phenyl-[1]benzothiolo[2,3-g]carbazol-3-yl)benzene-1,3-diamine is sourced from PubChem (CID 118485804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).