N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)spiro[tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-5-amine

C54H37N — CID 129085756

IUPACN-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)spiro[tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-5-amine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cc5c6c(cccc6c4)C54c5cccc6cccc4c56)cc3)ccc21
InChIInChI=1S/C54H37N/c1-53(2)45-17-7-6-16-43(45)44-32-38(25-30-46(44)53)36-23-28-41(29-24-36)55(40-26-21-35(22-27-40)34-11-4-3-5-12-34)42-31-39-15-10-20-49-52(39)50(33-42)54(49)47-18-8-13-37-14-9-19-48(54)51(37)47/h3-33H,1-2H3
InChIKeyJPBONXRCWQPVKU-UHFFFAOYSA-N
MW699.90 g/mol
LogP14.11
Rot. Bonds5

About N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)spiro[tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-5-amine

N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)spiro[tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-5-amine (PubChem CID 129085756) has the molecular formula C54H37N and a molecular weight of 699.90 g/mol. Its IUPAC name is N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)spiro[tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-5-amine.

Molecular Properties

Compound NameN-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)spiro[tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-5-amine
PubChem CID129085756
Molecular FormulaC54H37N
Molecular Weight699.90 g/mol
Exact Mass699.29
IUPAC NameN-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)spiro[tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-5-amine
SMILESCC1(C)c2ccccc2-c2cc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cc5c6c(cccc6c4)C54c5cccc6cccc4c56)cc3)ccc21
InChIInChI=1S/C54H37N/c1-53(2)45-17-7-6-16-43(45)44-32-38(25-30-46(44)53)36-23-28-41(29-24-36)55(40-26-21-35(22-27-40)34-11-4-3-5-12-34)42-31-39-15-10-20-49-52(39)50(33-42)54(49)47-18-8-13-37-14-9-19-48(54)51(37)47/h3-33H,1-2H3
InChIKeyJPBONXRCWQPVKU-UHFFFAOYSA-N
XLogP14.11
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500699.90
LogP ≤ 514.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)spiro[tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-5-amine with MolForge

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Related Compounds

N,N-bis(4-phenylphenyl)spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaene]-3'-amine;spiro[fluorene-9,15'-tetracyclo[10.2.1.05,14.08,13]pentadeca-1,3,5(14),6,8(13),9,11-heptaene]
CID 158405028
N-(9,9-dimethylfluoren-2-yl)-N-[4-(4-phenylphenyl)phenyl]heptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2(7),3,5,8,10,12,14,16,18(26),19,21(25),22,27-tetradecaen-4-amine
CID 167412224
N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 138498501
N-[4-(9,9-dimethyl-7-phenylfluoren-3-yl)phenyl]-9,9-dimethyl-N-(4-phenylphenyl)fluoren-2-amine
CID 164822424
N-phenyl-4-(4-phenylphenyl)-N-[4-(6,6,12,12-tetramethylindeno[1,2-b]fluoren-3-yl)phenyl]aniline
CID 138462004
15,15-dimethyl-N,N-bis[4-[4-(N-phenylanilino)phenyl]phenyl]tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine;15,15-dimethyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]-N-(4-phenylphenyl)tetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8(13),9,11-heptaen-3-amine
CID 159717494
9,9-dimethyl-N-naphthalen-2-yl-N-[4-(4-phenylphenyl)phenyl]spiro[anthracene-10,9'-fluorene]-3'-amine
CID 167177545
3-(9,9-dimethylfluoren-3-yl)-N-[3-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-naphthalen-2-ylphenyl)aniline
CID 154972891
9,9-dimethyl-N,N-bis(4-phenylphenyl)fluoren-3-amine
CID 121285785
N-[9,9-dimethyl-7-(4-phenylphenyl)fluoren-2-yl]-N-(4-phenylphenyl)-9,9'-spirobi[fluorene]-3-amine
CID 166663855
3-(9,9-dimethylspiro[anthracene-10,9'-fluorene]-3'-yl)-N-phenyl-N-[3-(3-phenylphenyl)phenyl]aniline
CID 167176479
9,9-dimethyl-N-[4-(4-methylphenyl)phenyl]-N-[4-[6-(4-phenylphenyl)-9,9'-spirobi[fluorene]-2-yl]phenyl]fluoren-2-amine
CID 129263948

Frequently Asked Questions

What is the IUPAC name of N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)spiro[tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-5-amine?
The IUPAC name of N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)spiro[tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-5-amine (CID 129085756) is N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)spiro[tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-5-amine.
What is the SMILES notation for N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)spiro[tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-5-amine?
The canonical SMILES for N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)spiro[tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-5-amine is CC1(C)c2ccccc2-c2cc(-c3ccc(N(c4ccc(-c5ccccc5)cc4)c4cc5c6c(cccc6c4)C54c5cccc6cccc4c56)cc3)ccc21.
What is the InChIKey of N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)spiro[tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-5-amine?
The InChIKey is JPBONXRCWQPVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H37N/c1-53(2)45-17-7-6-16-43(45)44-32-38(25-30-46(44)53)36-23-28-41(29-24-36)55(40-26-21-35(22-27-40)34-11-4-3-5-12-34)42-31-39-15-10-20-49-52(39)50(33-42)54(49)47-18-8-13-37-14-9-19-48(54)51(37)47/h3-33H,1-2H3.
What are the key properties of N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)spiro[tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-5-amine?
N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)spiro[tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-5-amine has a molecular weight of 699.90 g/mol, XLogP of 14.11, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(9,9-dimethylfluoren-3-yl)phenyl]-N-(4-phenylphenyl)spiro[tricyclo[5.3.1.03,11]undeca-1(10),3(11),4,6,8-pentaene-2,2'-tricyclo[5.3.1.03,11]undeca-1(10),3,5,7(11),8-pentaene]-5-amine is sourced from PubChem (CID 129085756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).