N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-[6-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-5-yl]phenyl]fluoren-2-amine

C67H45NOS — CID 169280264

IUPACN-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-[6-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-5-yl]phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4c(-c5ccc(-c6ccccc6)cc5)c5c6ccccc6sc5c5ccccc45)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc21
InChIInChI=1S/C67H45NOS/c1-67(2)58-24-11-8-17-51(58)52-40-39-49(41-59(52)67)68(47-35-31-44(32-36-47)50-22-14-23-55-53-18-9-12-25-60(53)69-65(50)55)48-37-33-45(34-38-48)62-54-19-6-7-20-56(54)66-64(57-21-10-13-26-61(57)70-66)63(62)46-29-27-43(28-30-46)42-15-4-3-5-16-42/h3-41H,1-2H3
InChIKeyRBDWUKTXNHMCSR-UHFFFAOYSA-N
MW912.17 g/mol
LogP19.55
Rot. Bonds7

About N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-[6-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-5-yl]phenyl]fluoren-2-amine

N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-[6-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-5-yl]phenyl]fluoren-2-amine (PubChem CID 169280264) has the molecular formula C67H45NOS and a molecular weight of 912.17 g/mol. Its IUPAC name is N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-[6-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-5-yl]phenyl]fluoren-2-amine.

Molecular Properties

Compound NameN-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-[6-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-5-yl]phenyl]fluoren-2-amine
PubChem CID169280264
Molecular FormulaC67H45NOS
Molecular Weight912.17 g/mol
Exact Mass911.32
IUPAC NameN-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-[6-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-5-yl]phenyl]fluoren-2-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4c(-c5ccc(-c6ccccc6)cc5)c5c6ccccc6sc5c5ccccc45)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc21
InChIInChI=1S/C67H45NOS/c1-67(2)58-24-11-8-17-51(58)52-40-39-49(41-59(52)67)68(47-35-31-44(32-36-47)50-22-14-23-55-53-18-9-12-25-60(53)69-65(50)55)48-37-33-45(34-38-48)62-54-19-6-7-20-56(54)66-64(57-21-10-13-26-61(57)70-66)63(62)46-29-27-43(28-30-46)42-15-4-3-5-16-42/h3-41H,1-2H3
InChIKeyRBDWUKTXNHMCSR-UHFFFAOYSA-N
XLogP19.55
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500912.17
LogP ≤ 519.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-[4-[4-(5-phenylnaphtho[1,2-b][1]benzothiol-6-yl)phenyl]phenyl]fluoren-2-amine
CID 169280592
N-(4-dibenzofuran-4-ylphenyl)-4-phenyl-N-[4-(6-phenylnaphtho[1,2-b][1]benzothiol-5-yl)phenyl]aniline
CID 169280461
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-(6-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]fluoren-2-amine
CID 169280347
9,9-dimethyl-N-[4-(20-oxa-9-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 167132696
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-7-phenylfluoren-2-amine
CID 67964252
N-(4-dibenzofuran-4-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)dibenzothiophen-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-phenyldibenzothiophen-2-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 160868259
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-(9,9-dimethylfluoren-2-yl)dibenzothiophen-4-amine;N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-phenyldibenzofuran-4-amine;N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-4-amine;N-[4-(4-dibenzothiophen-4-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzofuran-2-amine
CID 160559778
N-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 67964212
N-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-9,9-dimethyl-7-phenyl-N-(4-phenylphenyl)fluoren-2-amine
CID 67964106
9,9-dimethyl-N-[3-(9-oxa-20-thiapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1,3,5,7,10,12,14,16,18-nonaen-11-yl)phenyl]-N-(4-phenylphenyl)fluoren-2-amine
CID 167132714
8-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-6,6,12,12-tetramethyl-N-[4-(4-phenylphenyl)phenyl]indeno[1,2-b]fluoren-2-amine
CID 88534252
N-[4-(6-dibenzothiophen-4-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 170536349

Frequently Asked Questions

What is the IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-[6-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-5-yl]phenyl]fluoren-2-amine?
The IUPAC name of N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-[6-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-5-yl]phenyl]fluoren-2-amine (CID 169280264) is N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-[6-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-5-yl]phenyl]fluoren-2-amine.
What is the SMILES notation for N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-[6-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-5-yl]phenyl]fluoren-2-amine?
The canonical SMILES for N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-[6-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-5-yl]phenyl]fluoren-2-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4c(-c5ccc(-c6ccccc6)cc5)c5c6ccccc6sc5c5ccccc45)cc3)c3ccc(-c4cccc5c4oc4ccccc45)cc3)cc21.
What is the InChIKey of N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-[6-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-5-yl]phenyl]fluoren-2-amine?
The InChIKey is RBDWUKTXNHMCSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H45NOS/c1-67(2)58-24-11-8-17-51(58)52-40-39-49(41-59(52)67)68(47-35-31-44(32-36-47)50-22-14-23-55-53-18-9-12-25-60(53)69-65(50)55)48-37-33-45(34-38-48)62-54-19-6-7-20-56(54)66-64(57-21-10-13-26-61(57)70-66)63(62)46-29-27-43(28-30-46)42-15-4-3-5-16-42/h3-41H,1-2H3.
What are the key properties of N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-[6-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-5-yl]phenyl]fluoren-2-amine?
N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-[6-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-5-yl]phenyl]fluoren-2-amine has a molecular weight of 912.17 g/mol, XLogP of 19.55, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-dibenzofuran-4-ylphenyl)-9,9-dimethyl-N-[4-[6-(4-phenylphenyl)naphtho[1,2-b][1]benzothiol-5-yl]phenyl]fluoren-2-amine is sourced from PubChem (CID 169280264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).