N-dibenzothiophen-4-yl-4-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine

C50H33NOS — CID 169022450

IUPACN-dibenzothiophen-4-yl-4-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESCC1(c2c(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3sc3ccccc34)ccc3c2oc2ccccc23)c2ccccc2-c2ccccc21
InChIInChI=1S/C50H33NOS/c1-50(41-21-9-5-16-35(41)36-17-6-10-22-42(36)50)47-43(31-30-39-37-18-7-11-24-45(37)52-48(39)47)51(34-28-26-33(27-29-34)32-14-3-2-4-15-32)44-23-13-20-40-38-19-8-12-25-46(38)53-49(40)44/h2-31H,1H3
InChIKeyASEMVGAWRQBVMH-UHFFFAOYSA-N
MW695.89 g/mol
LogP14.43
Rot. Bonds5

About N-dibenzothiophen-4-yl-4-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine

N-dibenzothiophen-4-yl-4-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine (PubChem CID 169022450) has the molecular formula C50H33NOS and a molecular weight of 695.89 g/mol. Its IUPAC name is N-dibenzothiophen-4-yl-4-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine.

Molecular Properties

Compound NameN-dibenzothiophen-4-yl-4-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
PubChem CID169022450
Molecular FormulaC50H33NOS
Molecular Weight695.89 g/mol
Exact Mass695.23
IUPAC NameN-dibenzothiophen-4-yl-4-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
SMILESCC1(c2c(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3sc3ccccc34)ccc3c2oc2ccccc23)c2ccccc2-c2ccccc21
InChIInChI=1S/C50H33NOS/c1-50(41-21-9-5-16-35(41)36-17-6-10-22-42(36)50)47-43(31-30-39-37-18-7-11-24-45(37)52-48(39)47)51(34-28-26-33(27-29-34)32-14-3-2-4-15-32)44-23-13-20-40-38-19-8-12-25-46(38)53-49(40)44/h2-31H,1H3
InChIKeyASEMVGAWRQBVMH-UHFFFAOYSA-N
XLogP14.43
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500695.89
LogP ≤ 514.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-dibenzothiophen-4-yl-N-[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 163662266
4-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)-N-triphenylen-2-yldibenzofuran-3-amine
CID 169022363
4-(9-methylfluoren-9-yl)-N-naphthalen-2-yl-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 169022297
N-dibenzothiophen-4-yl-N-(9,9-diphenylfluoren-2-yl)-4-(9-phenylfluoren-9-yl)dibenzofuran-3-amine
CID 169022269
N-dibenzothiophen-4-yl-6-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine
CID 169021968
N-dibenzothiophen-4-yl-N-[4-(5-phenylnaphthalen-2-yl)phenyl]dibenzofuran-4-amine
CID 154605617
N-dibenzofuran-4-yl-6-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-4-amine
CID 169021944
N-[4-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]-N-phenyldibenzothiophen-4-amine;N-[4-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[4-(1,13-diphenyl-13-pentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-4-amine
CID 158832712
N,N-bis[4-(2-phenylphenyl)phenyl]dibenzofuran-1-amine;N,N-bis[4-(2-phenylphenyl)phenyl]dibenzofuran-4-amine;N,N-bis[4-(2-phenylphenyl)phenyl]dibenzothiophen-1-amine;N,N-bis[4-(2-phenylphenyl)phenyl]dibenzothiophen-4-amine
CID 164985244
N-dibenzofuran-3-yl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-3-amine;N-phenyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzofuran-4-amine;N-phenyl-N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]dibenzothiophen-4-amine
CID 159394304
N-dibenzothiophen-4-yl-3-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzofuran-4-amine
CID 171435470
N-dibenzothiophen-4-yl-4-naphthalen-1-yl-N-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-amine
CID 177069412

Frequently Asked Questions

What is the IUPAC name of N-dibenzothiophen-4-yl-4-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
The IUPAC name of N-dibenzothiophen-4-yl-4-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine (CID 169022450) is N-dibenzothiophen-4-yl-4-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine.
What is the SMILES notation for N-dibenzothiophen-4-yl-4-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
The canonical SMILES for N-dibenzothiophen-4-yl-4-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine is CC1(c2c(N(c3ccc(-c4ccccc4)cc3)c3cccc4c3sc3ccccc34)ccc3c2oc2ccccc23)c2ccccc2-c2ccccc21.
What is the InChIKey of N-dibenzothiophen-4-yl-4-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
The InChIKey is ASEMVGAWRQBVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H33NOS/c1-50(41-21-9-5-16-35(41)36-17-6-10-22-42(36)50)47-43(31-30-39-37-18-7-11-24-45(37)52-48(39)47)51(34-28-26-33(27-29-34)32-14-3-2-4-15-32)44-23-13-20-40-38-19-8-12-25-46(38)53-49(40)44/h2-31H,1H3.
What are the key properties of N-dibenzothiophen-4-yl-4-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine?
N-dibenzothiophen-4-yl-4-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine has a molecular weight of 695.89 g/mol, XLogP of 14.43, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dibenzothiophen-4-yl-4-(9-methylfluoren-9-yl)-N-(4-phenylphenyl)dibenzofuran-3-amine is sourced from PubChem (CID 169022450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).