N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine

C63H47N — CID 170447548

IUPACN-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cc4c(cc3-c3ccc5c(c3)CCCC5)-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C63H47N/c1-4-17-44(18-5-1)46-33-37-53(38-34-46)64(54-39-35-48(36-40-54)56-29-16-22-47-20-12-13-27-55(47)56)62-43-61-59(42-58(62)50-32-31-45-19-10-11-21-49(45)41-50)57-28-14-15-30-60(57)63(61,51-23-6-2-7-24-51)52-25-8-3-9-26-52/h1-9,12-18,20,22-43H,10-11,19,21H2
InChIKeyPEPDELBTFPUZNL-UHFFFAOYSA-N
MW818.08 g/mol
LogP16.55
Rot. Bonds8

About N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine

N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine (PubChem CID 170447548) has the molecular formula C63H47N and a molecular weight of 818.08 g/mol. Its IUPAC name is N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine.

Molecular Properties

Compound NameN-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine
PubChem CID170447548
Molecular FormulaC63H47N
Molecular Weight818.08 g/mol
Exact Mass817.37
IUPAC NameN-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine
SMILESc1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cc4c(cc3-c3ccc5c(c3)CCCC5)-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)cc1
InChIInChI=1S/C63H47N/c1-4-17-44(18-5-1)46-33-37-53(38-34-46)64(54-39-35-48(36-40-54)56-29-16-22-47-20-12-13-27-55(47)56)62-43-61-59(42-58(62)50-32-31-45-19-10-11-21-49(45)41-50)57-28-14-15-30-60(57)63(61,51-23-6-2-7-24-51)52-25-8-3-9-26-52/h1-9,12-18,20,22-43H,10-11,19,21H2
InChIKeyPEPDELBTFPUZNL-UHFFFAOYSA-N
XLogP16.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500818.08
LogP ≤ 516.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N,9,9-tetraphenyl-3-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]fluoren-2-amine
CID 170447280
9,9-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine
CID 170445964
N-[9,9-diphenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-yl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 170447579
N-(4-phenanthren-9-ylphenyl)-N,9,9-triphenyl-3-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170447405
N-(4-naphthalen-1-ylphenyl)-N,9,9-triphenyl-3-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]fluoren-2-amine
CID 170447239
N-(4-naphthalen-1-ylphenyl)-9-phenyl-N,9-bis(4-phenylphenyl)fluoren-2-amine
CID 163699411
N-(4-phenylphenyl)-N-[3'-(5,6,7,8-tetrahydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-yl]dibenzothiophen-4-amine
CID 170448631
N-naphthalen-1-yl-9,9-diphenyl-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)naphthalen-1-yl]phenyl]fluoren-2-amine
CID 59221522
N-(3-naphthalen-1-ylphenyl)-9,9-diphenyl-N-[4-(4-phenylphenyl)phenyl]fluoren-2-amine
CID 167323845
9,9-dimethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine
CID 170445933
N,N-bis(4-phenylphenyl)-3-(14-phenyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)aniline;N-(4-naphthalen-1-ylphenyl)-N-[3-(14-phenyl-14-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaenyl)phenyl]naphthalen-1-amine
CID 157395516
N-(4-naphthalen-1-ylphenyl)-3'-(4-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;N-(4-naphthalen-2-ylphenyl)-3'-(4-phenylphenyl)-N-triphenylen-2-yl-9,9'-spirobi[fluorene]-2'-amine;3'-(4-phenylphenyl)-N,N-di(triphenylen-2-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 161164298

Frequently Asked Questions

What is the IUPAC name of N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine?
The IUPAC name of N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine (CID 170447548) is N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine.
What is the SMILES notation for N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine?
The canonical SMILES for N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine is c1ccc(-c2ccc(N(c3ccc(-c4cccc5ccccc45)cc3)c3cc4c(cc3-c3ccc5c(c3)CCCC5)-c3ccccc3C4(c3ccccc3)c3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine?
The InChIKey is PEPDELBTFPUZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H47N/c1-4-17-44(18-5-1)46-33-37-53(38-34-46)64(54-39-35-48(36-40-54)56-29-16-22-47-20-12-13-27-55(47)56)62-43-61-59(42-58(62)50-32-31-45-19-10-11-21-49(45)41-50)57-28-14-15-30-60(57)63(61,51-23-6-2-7-24-51)52-25-8-3-9-26-52/h1-9,12-18,20,22-43H,10-11,19,21H2.
What are the key properties of N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine?
N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine has a molecular weight of 818.08 g/mol, XLogP of 16.55, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-naphthalen-1-ylphenyl)-9,9-diphenyl-N-(4-phenylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine is sourced from PubChem (CID 170447548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).