N-(9,9-diphenylfluoren-4-yl)-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine;9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine

C105H71N3 — CID 159681482

IUPACN-(9,9-diphenylfluoren-4-yl)-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine;9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-n4c5ccccc5c5cccc3c54)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)cc1.c1ccc(-c2ccc(Nc3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C68H44N2.C37H27N/c1-4-20-45(21-5-1)46-38-40-49(41-39-46)69(64-37-19-33-59-65(64)55-28-11-14-31-57(55)67(59,47-22-6-2-7-23-47)48-24-8-3-9-25-48)50-42-43-52-51-26-10-13-30-56(51)68(61(52)44-50)58-32-15-17-36-63(58)70-62-35-16-12-27-53(62)54-29-18-34-60(68)66(54)70;1-4-13-27(14-5-1)28-23-25-31(26-24-28)38-35-22-12-21-34-36(35)32-19-10-11-20-33(32)37(34,29-15-6-2-7-16-29)30-17-8-3-9-18-30/h1-44H;1-26,38H
InChIKeyMVGILELAOOHFTO-UHFFFAOYSA-N
MW1374.74 g/mol
LogP26.42
Rot. Bonds11

About N-(9,9-diphenylfluoren-4-yl)-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine;9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine

N-(9,9-diphenylfluoren-4-yl)-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine;9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine (PubChem CID 159681482) has the molecular formula C105H71N3 and a molecular weight of 1374.74 g/mol. Its IUPAC name is N-(9,9-diphenylfluoren-4-yl)-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine;9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine.

Molecular Properties

Compound NameN-(9,9-diphenylfluoren-4-yl)-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine;9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
PubChem CID159681482
Molecular FormulaC105H71N3
Molecular Weight1374.74 g/mol
Exact Mass1373.56
IUPAC NameN-(9,9-diphenylfluoren-4-yl)-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine;9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine
SMILESc1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-n4c5ccccc5c5cccc3c54)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)cc1.c1ccc(-c2ccc(Nc3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C68H44N2.C37H27N/c1-4-20-45(21-5-1)46-38-40-49(41-39-46)69(64-37-19-33-59-65(64)55-28-11-14-31-57(55)67(59,47-22-6-2-7-23-47)48-24-8-3-9-25-48)50-42-43-52-51-26-10-13-30-56(51)68(61(52)44-50)58-32-15-17-36-63(58)70-62-35-16-12-27-53(62)54-29-18-34-60(68)66(54)70;1-4-13-27(14-5-1)28-23-25-31(26-24-28)38-35-22-12-21-34-36(35)32-19-10-11-20-33(32)37(34,29-15-6-2-7-16-29)30-17-8-3-9-18-30/h1-44H;1-26,38H
InChIKeyMVGILELAOOHFTO-UHFFFAOYSA-N
XLogP26.42
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001374.74
LogP ≤ 526.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(9,9-diphenylfluoren-4-yl)-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine;9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine with MolForge

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Related Compounds

N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine;N-(4-phenylphenyl)-N-(9,9'-spirobi[fluorene]-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine
CID 159181397
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(9,9-diphenylfluoren-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine
CID 135168068
9,9-diphenyl-N-(4-phenylphenyl)-N-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)fluoren-4-amine
CID 135168644
9,9-diphenyl-N-(3-phenylphenyl)-N-(3-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)fluoren-4-amine
CID 135168653
9,9-diphenyl-N-(2-phenylphenyl)-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-ylphenyl)fluoren-2-amine
CID 135168746
N-(9,9-diphenylfluoren-2-yl)-N-naphthalen-1-ylspiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine;N-naphthalen-1-yl-9,9-diphenylfluoren-2-amine
CID 160560775
9,9-diphenyl-N-[2-(3-phenylphenyl)phenyl]-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)fluoren-2-amine;2-(3-phenylphenyl)-N-[4-(4-phenylphenyl)phenyl]-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)aniline;N-[2-(3-phenylphenyl)phenyl]-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 160787595
N-[4-(4-phenylphenyl)phenyl]-N-(9,9'-spirobi[fluorene]-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine
CID 135168194
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(7,7-diphenylbenzo[g]fluoren-9-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-4'-amine
CID 135168134
N-(9,9-dimethylfluoren-2-yl)-N-(4-spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-ylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 135168602
N-(4-phenylphenyl)-N-[2-(4-phenylphenyl)phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine
CID 135166479
N,N-bis(9,9'-spirobi[fluorene]-4-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine
CID 135168118

Frequently Asked Questions

What is the IUPAC name of N-(9,9-diphenylfluoren-4-yl)-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine;9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine?
The IUPAC name of N-(9,9-diphenylfluoren-4-yl)-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine;9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine (CID 159681482) is N-(9,9-diphenylfluoren-4-yl)-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine;9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine.
What is the SMILES notation for N-(9,9-diphenylfluoren-4-yl)-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine;9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine?
The canonical SMILES for N-(9,9-diphenylfluoren-4-yl)-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine;9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine is c1ccc(-c2ccc(N(c3ccc4c(c3)C3(c5ccccc5-4)c4ccccc4-n4c5ccccc5c5cccc3c54)c3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)cc1.c1ccc(-c2ccc(Nc3cccc4c3-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of N-(9,9-diphenylfluoren-4-yl)-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine;9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine?
The InChIKey is MVGILELAOOHFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H44N2.C37H27N/c1-4-20-45(21-5-1)46-38-40-49(41-39-46)69(64-37-19-33-59-65(64)55-28-11-14-31-57(55)67(59,47-22-6-2-7-23-47)48-24-8-3-9-25-48)50-42-43-52-51-26-10-13-30-56(51)68(61(52)44-50)58-32-15-17-36-63(58)70-62-35-16-12-27-53(62)54-29-18-34-60(68)66(54)70;1-4-13-27(14-5-1)28-23-25-31(26-24-28)38-35-22-12-21-34-36(35)32-19-10-11-20-33(32)37(34,29-15-6-2-7-16-29)30-17-8-3-9-18-30/h1-44H;1-26,38H.
What are the key properties of N-(9,9-diphenylfluoren-4-yl)-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine;9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine?
N-(9,9-diphenylfluoren-4-yl)-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine;9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine has a molecular weight of 1374.74 g/mol, XLogP of 26.42, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-diphenylfluoren-4-yl)-N-(4-phenylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]-2'-amine;9,9-diphenyl-N-(4-phenylphenyl)fluoren-4-amine is sourced from PubChem (CID 159681482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).