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

C63H41NO2S — CID 170536349

IUPACN-[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
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4c(-c5cccc6c5sc5ccccc56)ccc5c4oc4ccc6oc7ccccc7c6c45)cc3)cc21
InChIInChI=1S/C63H41NO2S/c1-63(2)52-20-9-6-15-44(52)45-32-31-43(37-53(45)63)64(41-27-23-39(24-28-41)38-13-4-3-5-14-38)42-29-25-40(26-30-42)58-47(49-19-12-18-48-46-16-8-11-22-57(46)67-62(48)49)33-34-51-60-56(66-61(51)58)36-35-55-59(60)50-17-7-10-21-54(50)65-55/h3-37H,1-2H3
InChIKeyQATVUNAMXMBRSZ-UHFFFAOYSA-N
MW876.09 g/mol
LogP18.63
Rot. Bonds6

About 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

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 (PubChem CID 170536349) has the molecular formula C63H41NO2S and a molecular weight of 876.09 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID170536349
Molecular FormulaC63H41NO2S
Molecular Weight876.09 g/mol
Exact Mass875.29
IUPAC NameN-[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
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4c(-c5cccc6c5sc5ccccc56)ccc5c4oc4ccc6oc7ccccc7c6c45)cc3)cc21
InChIInChI=1S/C63H41NO2S/c1-63(2)52-20-9-6-15-44(52)45-32-31-43(37-53(45)63)64(41-27-23-39(24-28-41)38-13-4-3-5-14-38)42-29-25-40(26-30-42)58-47(49-19-12-18-48-46-16-8-11-22-57(46)67-62(48)49)33-34-51-60-56(66-61(51)58)36-35-55-59(60)50-17-7-10-21-54(50)65-55/h3-37H,1-2H3
InChIKeyQATVUNAMXMBRSZ-UHFFFAOYSA-N
XLogP18.63
TPSA29.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500876.09
LogP ≤ 518.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

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
7-[3-[4-(4-dibenzothiophen-4-yl-N-[4-(2-phenyldibenzothiophen-3-yl)phenyl]anilino)phenyl]phenyl]-N-(9,9-dimethylfluoren-2-yl)-N-[4-[4-(4-phenylphenyl)dibenzofuran-3-yl]phenyl]triphenylen-2-amine
CID 135277639
N,N-bis(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-7,7-dimethylfluoreno[5,6-b][1]benzofuran-9-amine;N-(4-dibenzofuran-4-ylphenyl)-N-(4-dibenzothiophen-4-ylphenyl)-7,7-dimethylfluoreno[5,6-b][1]benzothiol-9-amine;N-(12,12-dimethylfluoreno[2,1-b][1]benzofuran-10-yl)-7,7-dimethyl-N-(4-phenylphenyl)fluoreno[5,6-b][1]benzofuran-9-amine
CID 158046690
4-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-(2-phenylphenyl)-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-7-amine
CID 170536070
N-[4-(4-dibenzofuran-2-yldibenzothiophen-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine;4-dibenzofuran-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine;4-dibenzothiophen-4-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 157081816
N-[4-(4-dibenzofuran-2-yldibenzothiophen-2-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 140919493
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
4-(4-dibenzofuran-4-yldibenzothiophen-2-yl)-N,N-diphenylaniline;4-dibenzofuran-2-yl-N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)dibenzothiophen-2-amine;4-(4-dibenzothiophen-4-yldibenzothiophen-2-yl)-N,N-diphenylaniline
CID 162033020
N-(2-dibenzothiophen-4-yl-5-phenylphenyl)-9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 176987143
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-dibenzothiophen-4-ylphenyl)-9,9-dimethyl-N-(4-naphtho[1,2-b][1]benzofuran-7-ylphenyl)fluoren-2-amine
CID 166939643
N-(4-dibenzothiophen-4-ylphenyl)-N,12-bis(9,9-dimethylfluoren-2-yl)-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaen-5-amine
CID 163666528

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1(C)c2ccccc2-c2ccc(N(c3ccc(-c4ccccc4)cc3)c3ccc(-c4c(-c5cccc6c5sc5ccccc56)ccc5c4oc4ccc6oc7ccccc7c6c45)cc3)cc21.
What is the InChIKey of 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?
The InChIKey is QATVUNAMXMBRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H41NO2S/c1-63(2)52-20-9-6-15-44(52)45-32-31-43(37-53(45)63)64(41-27-23-39(24-28-41)38-13-4-3-5-14-38)42-29-25-40(26-30-42)58-47(49-19-12-18-48-46-16-8-11-22-57(46)67-62(48)49)33-34-51-60-56(66-61(51)58)36-35-55-59(60)50-17-7-10-21-54(50)65-55/h3-37H,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 876.09 g/mol, XLogP of 18.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170536349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).