N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-fluorene]-9-amine

C51H33N — CID 145144949

IUPACN-naphthalen-1-yl-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-fluorene]-9-amine
SMILESc1ccc(-c2ccc(N(c3cccc4ccccc34)c3cccc4cc5c(cc34)C3(c4ccccc4-c4ccccc43)c3ccccc3-5)cc2)cc1
InChIInChI=1S/C51H33N/c1-2-14-34(15-3-1)35-28-30-38(31-29-35)52(49-26-12-17-36-16-4-5-19-39(36)49)50-27-13-18-37-32-44-42-22-8-11-25-47(42)51(48(44)33-43(37)50)45-23-9-6-20-40(45)41-21-7-10-24-46(41)51/h1-33H
InChIKeyNEQYPAOPDXTFLJ-UHFFFAOYSA-N
MW659.83 g/mol
LogP13.47
Rot. Bonds4

About N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-fluorene]-9-amine

N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-fluorene]-9-amine (PubChem CID 145144949) has the molecular formula C51H33N and a molecular weight of 659.83 g/mol. Its IUPAC name is N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-fluorene]-9-amine.

Molecular Properties

Compound NameN-naphthalen-1-yl-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-fluorene]-9-amine
PubChem CID145144949
Molecular FormulaC51H33N
Molecular Weight659.83 g/mol
Exact Mass659.26
IUPAC NameN-naphthalen-1-yl-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-fluorene]-9-amine
SMILESc1ccc(-c2ccc(N(c3cccc4ccccc34)c3cccc4cc5c(cc34)C3(c4ccccc4-c4ccccc43)c3ccccc3-5)cc2)cc1
InChIInChI=1S/C51H33N/c1-2-14-34(15-3-1)35-28-30-38(31-29-35)52(49-26-12-17-36-16-4-5-19-39(36)49)50-27-13-18-37-32-44-42-22-8-11-25-47(42)51(48(44)33-43(37)50)45-23-9-6-20-40(45)41-21-7-10-24-46(41)51/h1-33H
InChIKeyNEQYPAOPDXTFLJ-UHFFFAOYSA-N
XLogP13.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500659.83
LogP ≤ 513.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-phenyl-N-(4-spiro[benzo[b]fluorene-11,9'-fluorene]-2'-ylphenyl)naphthalen-1-amine
CID 134215984
N-[4-(9,9-diphenylspiro[anthracene-10,9'-fluorene]-2'-yl)phenyl]-N-naphthalen-1-ylnaphthalen-1-amine
CID 146247670
methane;N-[4-[4-(N-naphthalen-1-ylanilino)phenyl]phenyl]-N-phenylnaphthalen-1-amine;7-N'-phenyl-2-N',2-N'-bis(4-phenylphenyl)-7-N'-[4-(4-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2',7'-diamine;N-phenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]naphthalen-1-amine;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 162139097
N-[4-(4-heptacyclo[11.10.1.11,8.02,7.017,24.018,23.012,25]pentacosa-2(7),3,5,8,10,12(25),13,15,17(24),18,20,22-dodecaenyl)phenyl]-N-(4-phenylphenyl)naphthalen-1-amine
CID 156664766
11-N',17-N'-dinaphthalen-1-yl-11-N',17-N'-diphenylspiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaene]-11',17'-diamine
CID 130262417
methane;N-naphthalen-1-yl-3'-(4-phenanthren-9-ylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-(4-phenanthren-2-ylphenyl)-N-(4-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-(4-phenanthren-2-ylphenyl)-N-phenyl-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine
CID 158924092
N-(16-phenyl-5-pentacyclo[10.8.0.02,11.04,9.014,19]icosa-1(12),2(11),3,5,7,9,13,15,17,19-decaenyl)-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-4-amine
CID 166033003
N-phenyl-N-(4-spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene-10,9'-fluorene]-2'-ylphenyl)naphthalen-1-amine
CID 129309024
N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[benzo[a]fluorene-11,9'-fluorene]-2-amine
CID 145144966
N,7'-dinaphthalen-1-yl-N-(3-phenylphenyl)-9,9'-spirobi[fluorene]-2'-amine
CID 144583894
N,N-dinaphthalen-1-yl-9,9-diphenylspiro[anthracene-10,9'-fluorene]-3'-amine
CID 146247516
N-naphthalen-1-yl-N-[4-(2-phenylphenyl)phenyl]spiro[14,21-dioxapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-10,9'-fluorene]-17-amine
CID 138581305

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-fluorene]-9-amine?
The IUPAC name of N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-fluorene]-9-amine (CID 145144949) is N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-fluorene]-9-amine.
What is the SMILES notation for N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-fluorene]-9-amine?
The canonical SMILES for N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-fluorene]-9-amine is c1ccc(-c2ccc(N(c3cccc4ccccc34)c3cccc4cc5c(cc34)C3(c4ccccc4-c4ccccc43)c3ccccc3-5)cc2)cc1.
What is the InChIKey of N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-fluorene]-9-amine?
The InChIKey is NEQYPAOPDXTFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H33N/c1-2-14-34(15-3-1)35-28-30-38(31-29-35)52(49-26-12-17-36-16-4-5-19-39(36)49)50-27-13-18-37-32-44-42-22-8-11-25-47(42)51(48(44)33-43(37)50)45-23-9-6-20-40(45)41-21-7-10-24-46(41)51/h1-33H.
What are the key properties of N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-fluorene]-9-amine?
N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-fluorene]-9-amine has a molecular weight of 659.83 g/mol, XLogP of 13.47, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-N-(4-phenylphenyl)spiro[benzo[b]fluorene-11,9'-fluorene]-9-amine is sourced from PubChem (CID 145144949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).