N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-4-(5-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),3,7,9,11(18),12(17),13,15-octaen-14-yl)aniline

C49H34N2S — CID 163298303

IUPACN-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-4-(5-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),3,7,9,11(18),12(17),13,15-octaen-14-yl)aniline
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc6c(c5)c5cccc7c8sccc8n6c57)cc4)cc3)cc21
InChIInChI=1S/C49H34N2S/c1-49(2)43-14-7-6-11-38(43)39-25-19-34(30-44(39)49)32-17-23-37(24-18-32)50(35-9-4-3-5-10-35)36-21-15-31(16-22-36)33-20-26-45-42(29-33)40-12-8-13-41-47(40)51(45)46-27-28-52-48(41)46/h3-30H,1-2H3
InChIKeyZTFKISUSBVPZON-UHFFFAOYSA-N
MW682.89 g/mol
LogP14.01
Rot. Bonds5

About N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-4-(5-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),3,7,9,11(18),12(17),13,15-octaen-14-yl)aniline

N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-4-(5-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),3,7,9,11(18),12(17),13,15-octaen-14-yl)aniline (PubChem CID 163298303) has the molecular formula C49H34N2S and a molecular weight of 682.89 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-4-(5-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),3,7,9,11(18),12(17),13,15-octaen-14-yl)aniline.

Molecular Properties

Compound NameN-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-4-(5-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),3,7,9,11(18),12(17),13,15-octaen-14-yl)aniline
PubChem CID163298303
Molecular FormulaC49H34N2S
Molecular Weight682.89 g/mol
Exact Mass682.24
IUPAC NameN-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-4-(5-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),3,7,9,11(18),12(17),13,15-octaen-14-yl)aniline
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc6c(c5)c5cccc7c8sccc8n6c57)cc4)cc3)cc21
InChIInChI=1S/C49H34N2S/c1-49(2)43-14-7-6-11-38(43)39-25-19-34(30-44(39)49)32-17-23-37(24-18-32)50(35-9-4-3-5-10-35)36-21-15-31(16-22-36)33-20-26-45-42(29-33)40-12-8-13-41-47(40)51(45)46-27-28-52-48(41)46/h3-30H,1-2H3
InChIKeyZTFKISUSBVPZON-UHFFFAOYSA-N
XLogP14.01
TPSA7.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.89
LogP ≤ 514.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-4-(5-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),3,7,9,11(18),12(17),13,15-octaen-14-yl)aniline with MolForge

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Related Compounds

N-(4-carbazol-9-ylphenyl)-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine
CID 118186998
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-5-amine
CID 118187004
N-[4-(8,15-diazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaen-11-yl)phenyl]-9,9-dimethyl-N-[4-(3-phenylphenyl)phenyl]fluoren-2-amine
CID 170281214
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8,10,12(22),13,15,17(23),18,20-undecaen-5-amine
CID 164839349
N-(9,9-dimethylfluoren-2-yl)-N-(9,9-dimethyl-7-phenylfluoren-2-yl)-8,15-diazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2,4,6,9(14),10,12,16,18,20,22(26),23-dodecaen-11-amine
CID 170281051
N-[4-[6-(9,9-dimethylfluoren-2-yl)-9-phenylcarbazol-3-yl]phenyl]-N,4-diphenylaniline
CID 167527113
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 59757697
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline;N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-(4-phenylphenyl)aniline;4-(9,9-dimethylfluoren-2-yl)-N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N,4-diphenylaniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-(2-phenylphenyl)-N,N-bis[4-(2-phenylphenyl)phenyl]aniline
CID 159257633
7-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)-9,9-dimethyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 118188086
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-(9-phenylcarbazol-3-yl)-N-(3-phenylphenyl)fluoren-2-amine
CID 59171718
3,5-bis(9,9-dimethylfluoren-2-yl)-N-phenyl-N-[4-(9-phenylcarbazol-3-yl)phenyl]aniline
CID 70808663
7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 153018330

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-4-(5-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),3,7,9,11(18),12(17),13,15-octaen-14-yl)aniline?
The IUPAC name of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-4-(5-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),3,7,9,11(18),12(17),13,15-octaen-14-yl)aniline (CID 163298303) is N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-4-(5-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),3,7,9,11(18),12(17),13,15-octaen-14-yl)aniline.
What is the SMILES notation for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-4-(5-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),3,7,9,11(18),12(17),13,15-octaen-14-yl)aniline?
The canonical SMILES for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-4-(5-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),3,7,9,11(18),12(17),13,15-octaen-14-yl)aniline is CC1(C)c2ccccc2-c2ccc(-c3ccc(N(c4ccccc4)c4ccc(-c5ccc6c(c5)c5cccc7c8sccc8n6c57)cc4)cc3)cc21.
What is the InChIKey of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-4-(5-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),3,7,9,11(18),12(17),13,15-octaen-14-yl)aniline?
The InChIKey is ZTFKISUSBVPZON-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N2S/c1-49(2)43-14-7-6-11-38(43)39-25-19-34(30-44(39)49)32-17-23-37(24-18-32)50(35-9-4-3-5-10-35)36-21-15-31(16-22-36)33-20-26-45-42(29-33)40-12-8-13-41-47(40)51(45)46-27-28-52-48(41)46/h3-30H,1-2H3.
What are the key properties of N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-4-(5-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),3,7,9,11(18),12(17),13,15-octaen-14-yl)aniline?
N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-4-(5-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),3,7,9,11(18),12(17),13,15-octaen-14-yl)aniline has a molecular weight of 682.89 g/mol, XLogP of 14.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N-phenyl-4-(5-thia-1-azapentacyclo[9.6.1.02,6.07,18.012,17]octadeca-2(6),3,7,9,11(18),12(17),13,15-octaen-14-yl)aniline is sourced from PubChem (CID 163298303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).