N-(4-dibenzothiophen-1-ylphenyl)-N-(9H-fluoren-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-amine

C49H30N2S — CID 145355148

IUPACN-(4-dibenzothiophen-1-ylphenyl)-N-(9H-fluoren-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-amine
SMILESc1ccc2c(c1)Cc1ccc(N(c3ccc(-c4cccc5sc6ccccc6c45)cc3)c3ccc4c5ccccc5n5c6ccccc6c3c45)cc1-2
InChIInChI=1S/C49H30N2S/c1-2-11-35-31(10-1)28-32-22-25-34(29-41(32)35)50(33-23-20-30(21-24-33)36-15-9-19-46-47(36)40-14-5-8-18-45(40)52-46)44-27-26-38-37-12-3-6-16-42(37)51-43-17-7-4-13-39(43)48(44)49(38)51/h1-27,29H,28H2
InChIKeyFEUWYRGUMFSGBH-UHFFFAOYSA-N
MW678.86 g/mol
LogP13.91
Rot. Bonds4

About N-(4-dibenzothiophen-1-ylphenyl)-N-(9H-fluoren-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-amine

N-(4-dibenzothiophen-1-ylphenyl)-N-(9H-fluoren-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-amine (PubChem CID 145355148) has the molecular formula C49H30N2S and a molecular weight of 678.86 g/mol. Its IUPAC name is N-(4-dibenzothiophen-1-ylphenyl)-N-(9H-fluoren-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-amine.

Molecular Properties

Compound NameN-(4-dibenzothiophen-1-ylphenyl)-N-(9H-fluoren-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-amine
PubChem CID145355148
Molecular FormulaC49H30N2S
Molecular Weight678.86 g/mol
Exact Mass678.21
IUPAC NameN-(4-dibenzothiophen-1-ylphenyl)-N-(9H-fluoren-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-amine
SMILESc1ccc2c(c1)Cc1ccc(N(c3ccc(-c4cccc5sc6ccccc6c45)cc3)c3ccc4c5ccccc5n5c6ccccc6c3c45)cc1-2
InChIInChI=1S/C49H30N2S/c1-2-11-35-31(10-1)28-32-22-25-34(29-41(32)35)50(33-23-20-30(21-24-33)36-15-9-19-46-47(36)40-14-5-8-18-45(40)52-46)44-27-26-38-37-12-3-6-16-42(37)51-43-17-7-4-13-39(43)48(44)49(38)51/h1-27,29H,28H2
InChIKeyFEUWYRGUMFSGBH-UHFFFAOYSA-N
XLogP13.91
TPSA7.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.86
LogP ≤ 513.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(4-dibenzothiophen-1-ylphenyl)-N-(9H-fluoren-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-amine 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

N-dibenzothiophen-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-amine
CID 145355220
N-dibenzothiophen-1-yl-N-(4-phenylphenyl)-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 170280857
N-[4-(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-yl)phenyl]-N-(9H-fluoren-3-yl)dibenzofuran-3-amine;bis(N-[4-(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-yl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine)
CID 159318160
10-N,22-N-diphenyl-10-N,22-N-bis(3-phenylphenyl)-7-thia-1-azaoctacyclo[17.10.1.02,18.03,15.06,14.08,13.023,30.024,29]triaconta-2(18),3(15),4,6(14),8(13),9,11,16,19(30),20,22,24,26,28-tetradecaene-10,22-diamine
CID 164840294
N-(4-dibenzothiophen-1-ylphenyl)-N-[3,6-dimethyl-2-[2-methyl-3-(2-methylphenyl)phenyl]phenyl]-9H-fluoren-3-amine
CID 145354288
N-dibenzothiophen-2-yl-N-[4-(8-phenylnaphthalen-1-yl)phenyl]-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 170280684
1-dibenzothiophen-1-yl-N,9-diphenyl-N-(3-phenylphenyl)carbazol-4-amine
CID 156664554
N-dibenzothiophen-2-yl-N-[4-(9-methylcarbazol-4-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-3-amine
CID 145354821
N-(9,9-dimethylfluoren-3-yl)-N-[4-(9H-fluoren-4-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-3-amine
CID 147271984
13-N,28-N-diphenyl-13-N,28-N-bis(3-phenylphenyl)-5,20-diazanonacyclo[18.10.1.15,12.02,19.04,17.06,11.021,26.027,31.016,32]dotriaconta-1(31),2,4(17),6,8,10,12,14,16(32),18,21,23,25,27,29-pentadecaene-13,28-diamine
CID 138506964
2-[2-(N-(4-dibenzothiophen-1-ylphenyl)anilino)phenyl]-N,N-diphenylaniline
CID 167087126
N-dibenzothiophen-2-yl-N-(4-phenylnaphthalen-1-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 170280667

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzothiophen-1-ylphenyl)-N-(9H-fluoren-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-amine?
The IUPAC name of N-(4-dibenzothiophen-1-ylphenyl)-N-(9H-fluoren-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-amine (CID 145355148) is N-(4-dibenzothiophen-1-ylphenyl)-N-(9H-fluoren-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-amine.
What is the SMILES notation for N-(4-dibenzothiophen-1-ylphenyl)-N-(9H-fluoren-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-amine?
The canonical SMILES for N-(4-dibenzothiophen-1-ylphenyl)-N-(9H-fluoren-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-amine is c1ccc2c(c1)Cc1ccc(N(c3ccc(-c4cccc5sc6ccccc6c45)cc3)c3ccc4c5ccccc5n5c6ccccc6c3c45)cc1-2.
What is the InChIKey of N-(4-dibenzothiophen-1-ylphenyl)-N-(9H-fluoren-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-amine?
The InChIKey is FEUWYRGUMFSGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N2S/c1-2-11-35-31(10-1)28-32-22-25-34(29-41(32)35)50(33-23-20-30(21-24-33)36-15-9-19-46-47(36)40-14-5-8-18-45(40)52-46)44-27-26-38-37-12-3-6-16-42(37)51-43-17-7-4-13-39(43)48(44)49(38)51/h1-27,29H,28H2.
What are the key properties of N-(4-dibenzothiophen-1-ylphenyl)-N-(9H-fluoren-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-amine?
N-(4-dibenzothiophen-1-ylphenyl)-N-(9H-fluoren-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-amine has a molecular weight of 678.86 g/mol, XLogP of 13.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzothiophen-1-ylphenyl)-N-(9H-fluoren-3-yl)-1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-9-amine is sourced from PubChem (CID 145355148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).