N-[4-(1,13-diphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)dibenzothiophen-3-amine

C74H48N2S — CID 168750641

IUPACN-[4-(1,13-diphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)dibenzothiophen-3-amine
SMILESc1ccc(N2c3ccccc3C3(c4ccccc4)c4cc(-c5ccc(N(c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)c6ccc7c(c6)sc6ccccc67)cc5)ccc4-c4cccc2c43)cc1
InChIInChI=1S/C74H48N2S/c1-5-20-51(21-6-1)73(52-22-7-2-8-23-52)64-31-15-13-28-58(64)59-44-41-56(47-67(59)73)75(57-42-45-62-61-29-14-18-35-70(61)77-71(62)48-57)55-39-36-49(37-40-55)50-38-43-60-63-30-19-34-69-72(63)74(66(60)46-50,53-24-9-3-10-25-53)65-32-16-17-33-68(65)76(69)54-26-11-4-12-27-54/h1-48H
InChIKeyPKZHPKPJBZAKKF-UHFFFAOYSA-N
MW997.28 g/mol
LogP19.70
Rot. Bonds8

About N-[4-(1,13-diphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)dibenzothiophen-3-amine

N-[4-(1,13-diphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)dibenzothiophen-3-amine (PubChem CID 168750641) has the molecular formula C74H48N2S and a molecular weight of 997.28 g/mol. Its IUPAC name is N-[4-(1,13-diphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)dibenzothiophen-3-amine.

Molecular Properties

Compound NameN-[4-(1,13-diphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)dibenzothiophen-3-amine
PubChem CID168750641
Molecular FormulaC74H48N2S
Molecular Weight997.28 g/mol
Exact Mass996.35
IUPAC NameN-[4-(1,13-diphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)dibenzothiophen-3-amine
SMILESc1ccc(N2c3ccccc3C3(c4ccccc4)c4cc(-c5ccc(N(c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)c6ccc7c(c6)sc6ccccc67)cc5)ccc4-c4cccc2c43)cc1
InChIInChI=1S/C74H48N2S/c1-5-20-51(21-6-1)73(52-22-7-2-8-23-52)64-31-15-13-28-58(64)59-44-41-56(47-67(59)73)75(57-42-45-62-61-29-14-18-35-70(61)77-71(62)48-57)55-39-36-49(37-40-55)50-38-43-60-63-30-19-34-69-72(63)74(66(60)46-50,53-24-9-3-10-25-53)65-32-16-17-33-68(65)76(69)54-26-11-4-12-27-54/h1-48H
InChIKeyPKZHPKPJBZAKKF-UHFFFAOYSA-N
XLogP19.70
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500997.28
LogP ≤ 519.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[4-(1,13-diphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)dibenzothiophen-3-amine with MolForge

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Related Compounds

N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine
CID 155240522
N-(3-dibenzothiophen-2-ylphenyl)-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine
CID 155240364
N-(9,9-diphenylfluoren-2-yl)-1,13-diphenyl-N-(3-phenylphenyl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-amine
CID 168750647
N-[4-[3-(9-phenylfluoren-9-yl)phenyl]phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 177116801
N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine
CID 134309283
N-dibenzothiophen-2-yl-1,5,13-triphenyl-N-(9,9'-spirobi[fluorene]-2-yl)-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-amine
CID 168750862
N-(4-dibenzofuran-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-dimethylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine;N-(4-dibenzothiophen-2-ylphenyl)-N-(9,9-diphenylfluoren-2-yl)-10-phenylspiro[acridine-9,9'-fluorene]-2'-amine
CID 158809478
N-dibenzothiophen-2-yl-N,10-diphenylspiro[acridine-9,9'-fluorene]-2'-amine
CID 134309219
N-[4-[4-(2-carbazol-9-ylphenyl)phenyl]phenyl]-N-(9,9-diphenylfluoren-2-yl)dibenzothiophen-3-amine
CID 167322834
N-(9,9-dimethylfluoren-2-yl)-7'-(1,13-diphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 168750612
9-dibenzothiophen-3-yl-N,N,9-triphenylfluoren-2-amine
CID 122593297
N-dibenzothiophen-4-yl-10-phenyl-N-(4-phenylphenyl)spiro[acridine-9,9'-fluorene]-2'-amine
CID 147879368

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,13-diphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)dibenzothiophen-3-amine?
The IUPAC name of N-[4-(1,13-diphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)dibenzothiophen-3-amine (CID 168750641) is N-[4-(1,13-diphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)dibenzothiophen-3-amine.
What is the SMILES notation for N-[4-(1,13-diphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)dibenzothiophen-3-amine?
The canonical SMILES for N-[4-(1,13-diphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)dibenzothiophen-3-amine is c1ccc(N2c3ccccc3C3(c4ccccc4)c4cc(-c5ccc(N(c6ccc7c(c6)C(c6ccccc6)(c6ccccc6)c6ccccc6-7)c6ccc7c(c6)sc6ccccc67)cc5)ccc4-c4cccc2c43)cc1.
What is the InChIKey of N-[4-(1,13-diphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)dibenzothiophen-3-amine?
The InChIKey is PKZHPKPJBZAKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H48N2S/c1-5-20-51(21-6-1)73(52-22-7-2-8-23-52)64-31-15-13-28-58(64)59-44-41-56(47-67(59)73)75(57-42-45-62-61-29-14-18-35-70(61)77-71(62)48-57)55-39-36-49(37-40-55)50-38-43-60-63-30-19-34-69-72(63)74(66(60)46-50,53-24-9-3-10-25-53)65-32-16-17-33-68(65)76(69)54-26-11-4-12-27-54/h1-48H.
What are the key properties of N-[4-(1,13-diphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)dibenzothiophen-3-amine?
N-[4-(1,13-diphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)dibenzothiophen-3-amine has a molecular weight of 997.28 g/mol, XLogP of 19.70, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,13-diphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)phenyl]-N-(9,9-diphenylfluoren-2-yl)dibenzothiophen-3-amine is sourced from PubChem (CID 168750641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).