N,N-bis(2-phenylphenyl)spiro[9H-anthracene-10,9'-fluorene]-2'-amine

C50H35N — CID 141476561

IUPACN,N-bis(2-phenylphenyl)spiro[9H-anthracene-10,9'-fluorene]-2'-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3c(c2)C2(c4ccccc4Cc4ccccc42)c2ccccc2-3)c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C50H35N/c1-3-17-35(18-4-1)40-23-10-15-29-48(40)51(49-30-16-11-24-41(49)36-19-5-2-6-20-36)39-31-32-43-42-25-9-14-28-46(42)50(47(43)34-39)44-26-12-7-21-37(44)33-38-22-8-13-27-45(38)50/h1-32,34H,33H2
InChIKeySNSVPFNWBBYFEG-UHFFFAOYSA-N
MW649.84 g/mol
LogP12.76
Rot. Bonds5

About N,N-bis(2-phenylphenyl)spiro[9H-anthracene-10,9'-fluorene]-2'-amine

N,N-bis(2-phenylphenyl)spiro[9H-anthracene-10,9'-fluorene]-2'-amine (PubChem CID 141476561) has the molecular formula C50H35N and a molecular weight of 649.84 g/mol. Its IUPAC name is N,N-bis(2-phenylphenyl)spiro[9H-anthracene-10,9'-fluorene]-2'-amine.

Molecular Properties

Compound NameN,N-bis(2-phenylphenyl)spiro[9H-anthracene-10,9'-fluorene]-2'-amine
PubChem CID141476561
Molecular FormulaC50H35N
Molecular Weight649.84 g/mol
Exact Mass649.28
IUPAC NameN,N-bis(2-phenylphenyl)spiro[9H-anthracene-10,9'-fluorene]-2'-amine
SMILESc1ccc(-c2ccccc2N(c2ccc3c(c2)C2(c4ccccc4Cc4ccccc42)c2ccccc2-3)c2ccccc2-c2ccccc2)cc1
InChIInChI=1S/C50H35N/c1-3-17-35(18-4-1)40-23-10-15-29-48(40)51(49-30-16-11-24-41(49)36-19-5-2-6-20-36)39-31-32-43-42-25-9-14-28-46(42)50(47(43)34-39)44-26-12-7-21-37(44)33-38-22-8-13-27-45(38)50/h1-32,34H,33H2
InChIKeySNSVPFNWBBYFEG-UHFFFAOYSA-N
XLogP12.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.84
LogP ≤ 512.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-bis(2-phenylphenyl)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-dodecaen-4-amine
CID 156664728
3-N,11-N'-diphenyl-3-N,11-N'-bis(2-phenylphenyl)spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-3,11'-diamine
CID 130264087
9,9-dimethyl-N-phenyl-N-(2-phenylphenyl)spiro[anthracene-10,9'-fluorene]-2'-amine
CID 167176259
N-[2-(4-phenylphenyl)phenyl]-N-[3-phenyl-2-(2-phenylphenyl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 168789323
N-(2-phenylphenyl)-N-spiro[cyclopentane-1,9'-fluorene]-2'-yl-9,9'-spirobi[fluorene]-2-amine
CID 66807438
CID 134272876
CID 134272876
N-(4-tert-butylphenyl)-N-(2-phenylphenyl)-9,9'-spirobi[fluorene]-2-amine
CID 164529165
N-(9,9-diphenylfluoren-2-yl)-N-(2-phenylphenyl)tetraphenylen-2-amine
CID 139297876
2-N-(3,4-diphenylphenyl)-1-N,1-N-diphenyl-2-N-(9,9'-spirobi[fluorene]-2-yl)benzene-1,2-diamine
CID 139322157
N-(2-phenylphenyl)-N-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-11'-yl-14-oxatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaen-12-amine
CID 130262870
10-phenyl-N,N-bis[2-(4-phenylphenyl)phenyl]spiro[acridine-9,9'-fluorene]-2'-amine
CID 135166634
9,9-diphenyl-N-[3-(9-phenylfluoren-9-yl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine
CID 121464349

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-phenylphenyl)spiro[9H-anthracene-10,9'-fluorene]-2'-amine?
The IUPAC name of N,N-bis(2-phenylphenyl)spiro[9H-anthracene-10,9'-fluorene]-2'-amine (CID 141476561) is N,N-bis(2-phenylphenyl)spiro[9H-anthracene-10,9'-fluorene]-2'-amine.
What is the SMILES notation for N,N-bis(2-phenylphenyl)spiro[9H-anthracene-10,9'-fluorene]-2'-amine?
The canonical SMILES for N,N-bis(2-phenylphenyl)spiro[9H-anthracene-10,9'-fluorene]-2'-amine is c1ccc(-c2ccccc2N(c2ccc3c(c2)C2(c4ccccc4Cc4ccccc42)c2ccccc2-3)c2ccccc2-c2ccccc2)cc1.
What is the InChIKey of N,N-bis(2-phenylphenyl)spiro[9H-anthracene-10,9'-fluorene]-2'-amine?
The InChIKey is SNSVPFNWBBYFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H35N/c1-3-17-35(18-4-1)40-23-10-15-29-48(40)51(49-30-16-11-24-41(49)36-19-5-2-6-20-36)39-31-32-43-42-25-9-14-28-46(42)50(47(43)34-39)44-26-12-7-21-37(44)33-38-22-8-13-27-45(38)50/h1-32,34H,33H2.
What are the key properties of N,N-bis(2-phenylphenyl)spiro[9H-anthracene-10,9'-fluorene]-2'-amine?
N,N-bis(2-phenylphenyl)spiro[9H-anthracene-10,9'-fluorene]-2'-amine has a molecular weight of 649.84 g/mol, XLogP of 12.76, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-phenylphenyl)spiro[9H-anthracene-10,9'-fluorene]-2'-amine is sourced from PubChem (CID 141476561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).