N-(9,9-dimethylfluoren-2-yl)-N-phenyl-3'-(5,6,7,8-tetrahydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine

C56H43N — CID 170447564

IUPACN-(9,9-dimethylfluoren-2-yl)-N-phenyl-3'-(5,6,7,8-tetrahydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc4c(cc3-c3ccc5c(c3)CCCC5)-c3ccccc3C43c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C56H43N/c1-55(2)48-24-12-8-20-41(48)45-31-30-40(33-52(45)55)57(39-18-4-3-5-19-39)54-35-53-47(34-46(54)38-29-28-36-16-6-7-17-37(36)32-38)44-23-11-15-27-51(44)56(53)49-25-13-9-21-42(49)43-22-10-14-26-50(43)56/h3-5,8-15,18-35H,6-7,16-17H2,1-2H3
InChIKeyDKPJEQHFDVMGLN-UHFFFAOYSA-N
MW729.97 g/mol
LogP14.35
Rot. Bonds4

About N-(9,9-dimethylfluoren-2-yl)-N-phenyl-3'-(5,6,7,8-tetrahydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine

N-(9,9-dimethylfluoren-2-yl)-N-phenyl-3'-(5,6,7,8-tetrahydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 170447564) has the molecular formula C56H43N and a molecular weight of 729.97 g/mol. Its IUPAC name is N-(9,9-dimethylfluoren-2-yl)-N-phenyl-3'-(5,6,7,8-tetrahydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine.

Molecular Properties

Compound NameN-(9,9-dimethylfluoren-2-yl)-N-phenyl-3'-(5,6,7,8-tetrahydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine
PubChem CID170447564
Molecular FormulaC56H43N
Molecular Weight729.97 g/mol
Exact Mass729.34
IUPAC NameN-(9,9-dimethylfluoren-2-yl)-N-phenyl-3'-(5,6,7,8-tetrahydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc4c(cc3-c3ccc5c(c3)CCCC5)-c3ccccc3C43c4ccccc4-c4ccccc43)cc21
InChIInChI=1S/C56H43N/c1-55(2)48-24-12-8-20-41(48)45-31-30-40(33-52(45)55)57(39-18-4-3-5-19-39)54-35-53-47(34-46(54)38-29-28-36-16-6-7-17-37(36)32-38)44-23-11-15-27-51(44)56(53)49-25-13-9-21-42(49)43-22-10-14-26-50(43)56/h3-5,8-15,18-35H,6-7,16-17H2,1-2H3
InChIKeyDKPJEQHFDVMGLN-UHFFFAOYSA-N
XLogP14.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500729.97
LogP ≤ 514.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

9,9-dimethyl-N-phenyl-N,3-bis(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine
CID 170445163
9,9-dimethyl-N-phenyl-N-(4-phenylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine
CID 170445211
N-(9,9-dimethylfluoren-2-yl)-3'-(3-methyl-5,6,7,8-tetrahydronaphthalen-2-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 170449270
9,9-dimethyl-N-(2-phenylphenyl)-N-(4-phenylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine
CID 170445933
N-(9,9-dimethylfluoren-2-yl)-N-(4-phenylphenyl)-3'-(5,6,7,8-tetrahydronaphthalen-1-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 170448848
N-(9,9-dimethylfluoren-2-yl)-3'-phenyl-N-(9,9'-spirobi[fluorene]-2-yl)-9,9'-spirobi[fluorene]-2'-amine
CID 153433790
9,9-dimethyl-N-phenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-3-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170445836
N-phenyl-N-(5,6,7,8-tetrahydronaphthalen-2-yl)-3'-[4-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 170448208
N,N,9,9-tetraphenyl-3-[4-(5,6,7,8-tetrahydronaphthalen-2-yl)phenyl]fluoren-2-amine
CID 170447280
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-phenyl-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)fluoren-2-amine
CID 170445119
N-(9,9-diphenylfluoren-2-yl)-9,9-dimethyl-N-phenyl-3-(5,6,7,8-tetrahydronaphthalen-1-yl)fluoren-2-amine
CID 170445420
9,9-dimethyl-N-naphthalen-1-yl-N-(4-phenylphenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yl)fluoren-2-amine
CID 170445964

Frequently Asked Questions

What is the IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-phenyl-3'-(5,6,7,8-tetrahydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine?
The IUPAC name of N-(9,9-dimethylfluoren-2-yl)-N-phenyl-3'-(5,6,7,8-tetrahydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine (CID 170447564) is N-(9,9-dimethylfluoren-2-yl)-N-phenyl-3'-(5,6,7,8-tetrahydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine.
What is the SMILES notation for N-(9,9-dimethylfluoren-2-yl)-N-phenyl-3'-(5,6,7,8-tetrahydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine?
The canonical SMILES for N-(9,9-dimethylfluoren-2-yl)-N-phenyl-3'-(5,6,7,8-tetrahydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3cc4c(cc3-c3ccc5c(c3)CCCC5)-c3ccccc3C43c4ccccc4-c4ccccc43)cc21.
What is the InChIKey of N-(9,9-dimethylfluoren-2-yl)-N-phenyl-3'-(5,6,7,8-tetrahydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine?
The InChIKey is DKPJEQHFDVMGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H43N/c1-55(2)48-24-12-8-20-41(48)45-31-30-40(33-52(45)55)57(39-18-4-3-5-19-39)54-35-53-47(34-46(54)38-29-28-36-16-6-7-17-37(36)32-38)44-23-11-15-27-51(44)56(53)49-25-13-9-21-42(49)43-22-10-14-26-50(43)56/h3-5,8-15,18-35H,6-7,16-17H2,1-2H3.
What are the key properties of N-(9,9-dimethylfluoren-2-yl)-N-phenyl-3'-(5,6,7,8-tetrahydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine?
N-(9,9-dimethylfluoren-2-yl)-N-phenyl-3'-(5,6,7,8-tetrahydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine has a molecular weight of 729.97 g/mol, XLogP of 14.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,9-dimethylfluoren-2-yl)-N-phenyl-3'-(5,6,7,8-tetrahydronaphthalen-2-yl)-9,9'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 170447564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).