2-(3-naphthalen-2-ylphenyl)naphthalene;N-(7,8,9,10-tetrahydrotriphenylen-2-yl)-9,9'-spirobi[fluorene]-2-amine

C69H49N — CID 145204079

IUPAC2-(3-naphthalen-2-ylphenyl)naphthalene;N-(7,8,9,10-tetrahydrotriphenylen-2-yl)-9,9'-spirobi[fluorene]-2-amine
SMILESC1=Cc2c(c3c(c4cc(Nc5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)ccc24)C=CCC3)CC1.c1cc(-c2ccc3ccccc3c2)cc(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C43H31N.C26H18/c1-2-13-31-29(11-1)30-12-3-4-14-32(30)38-25-27(21-23-33(31)38)44-28-22-24-37-36-17-7-10-20-41(36)43(42(37)26-28)39-18-8-5-15-34(39)35-16-6-9-19-40(35)43;1-3-8-21-16-25(14-12-19(21)6-1)23-10-5-11-24(18-23)26-15-13-20-7-2-4-9-22(20)17-26/h2,4-10,13-26,44H,1,3,11-12H2;1-18H
InChIKeyZRURPHQTUPREKE-UHFFFAOYSA-N
MW892.16 g/mol
LogP18.17
Rot. Bonds4

About 2-(3-naphthalen-2-ylphenyl)naphthalene;N-(7,8,9,10-tetrahydrotriphenylen-2-yl)-9,9'-spirobi[fluorene]-2-amine

2-(3-naphthalen-2-ylphenyl)naphthalene;N-(7,8,9,10-tetrahydrotriphenylen-2-yl)-9,9'-spirobi[fluorene]-2-amine (PubChem CID 145204079) has the molecular formula C69H49N and a molecular weight of 892.16 g/mol. Its IUPAC name is 2-(3-naphthalen-2-ylphenyl)naphthalene;N-(7,8,9,10-tetrahydrotriphenylen-2-yl)-9,9'-spirobi[fluorene]-2-amine.

Molecular Properties

Compound Name2-(3-naphthalen-2-ylphenyl)naphthalene;N-(7,8,9,10-tetrahydrotriphenylen-2-yl)-9,9'-spirobi[fluorene]-2-amine
PubChem CID145204079
Molecular FormulaC69H49N
Molecular Weight892.16 g/mol
Exact Mass891.39
IUPAC Name2-(3-naphthalen-2-ylphenyl)naphthalene;N-(7,8,9,10-tetrahydrotriphenylen-2-yl)-9,9'-spirobi[fluorene]-2-amine
SMILESC1=Cc2c(c3c(c4cc(Nc5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)ccc24)C=CCC3)CC1.c1cc(-c2ccc3ccccc3c2)cc(-c2ccc3ccccc3c2)c1
InChIInChI=1S/C43H31N.C26H18/c1-2-13-31-29(11-1)30-12-3-4-14-32(30)38-25-27(21-23-33(31)38)44-28-22-24-37-36-17-7-10-20-41(36)43(42(37)26-28)39-18-8-5-15-34(39)35-16-6-9-19-40(35)43;1-3-8-21-16-25(14-12-19(21)6-1)23-10-5-11-24(18-23)26-15-13-20-7-2-4-9-22(20)17-26/h2,4-10,13-26,44H,1,3,11-12H2;1-18H
InChIKeyZRURPHQTUPREKE-UHFFFAOYSA-N
XLogP18.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500892.16
LogP ≤ 518.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]
CID 140710700
18'-(5,6-dihydronaphthalen-2-yl)-5'-naphthalen-2-ylspiro[fluorene-9,21'-pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2(7),3,5,8(13),11,15(20),16,18-nonaene]
CID 144772650
N-[4-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]phenyl]-9,9-diphenylfluoren-2-amine
CID 177113841
N-(4-phenylphenyl)spiro[1,2-dihydrofluorene-9,9'-fluorene]-2'-amine
CID 166861507
3-(6-naphthalen-2-ylnaphthalen-2-yl)spiro[benzo[a]fluorene-11,9'-fluorene]
CID 166034437
2-methylprop-1-ene;N-naphthalen-2-yl-9,9'-spirobi[fluorene]-2-amine
CID 145077293
2-[3-[6-(4-naphthalen-2-ylphenyl)pyren-1-yl]phenyl]-9,9'-spirobi[fluorene]
CID 170778750
N-(4-naphthalen-2-ylphenyl)-9-(9,9'-spirobi[fluorene]-2-yl)carbazol-3-amine
CID 59372431
2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-9,9'-spirobi[fluorene]
CID 58251701
2-[3-(3-naphthalen-2-ylphenyl)phenyl]-9,9-diphenylfluorene
CID 154591120
1-N,4-N-bis(9,9'-spirobi[fluorene]-2-yl)benzene-1,4-diamine
CID 122468678
9,9-bis(4-tert-butylphenyl)-N-[4-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]fluoren-2-amine
CID 177114050

Frequently Asked Questions

What is the IUPAC name of 2-(3-naphthalen-2-ylphenyl)naphthalene;N-(7,8,9,10-tetrahydrotriphenylen-2-yl)-9,9'-spirobi[fluorene]-2-amine?
The IUPAC name of 2-(3-naphthalen-2-ylphenyl)naphthalene;N-(7,8,9,10-tetrahydrotriphenylen-2-yl)-9,9'-spirobi[fluorene]-2-amine (CID 145204079) is 2-(3-naphthalen-2-ylphenyl)naphthalene;N-(7,8,9,10-tetrahydrotriphenylen-2-yl)-9,9'-spirobi[fluorene]-2-amine.
What is the SMILES notation for 2-(3-naphthalen-2-ylphenyl)naphthalene;N-(7,8,9,10-tetrahydrotriphenylen-2-yl)-9,9'-spirobi[fluorene]-2-amine?
The canonical SMILES for 2-(3-naphthalen-2-ylphenyl)naphthalene;N-(7,8,9,10-tetrahydrotriphenylen-2-yl)-9,9'-spirobi[fluorene]-2-amine is C1=Cc2c(c3c(c4cc(Nc5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)ccc24)C=CCC3)CC1.c1cc(-c2ccc3ccccc3c2)cc(-c2ccc3ccccc3c2)c1.
What is the InChIKey of 2-(3-naphthalen-2-ylphenyl)naphthalene;N-(7,8,9,10-tetrahydrotriphenylen-2-yl)-9,9'-spirobi[fluorene]-2-amine?
The InChIKey is ZRURPHQTUPREKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H31N.C26H18/c1-2-13-31-29(11-1)30-12-3-4-14-32(30)38-25-27(21-23-33(31)38)44-28-22-24-37-36-17-7-10-20-41(36)43(42(37)26-28)39-18-8-5-15-34(39)35-16-6-9-19-40(35)43;1-3-8-21-16-25(14-12-19(21)6-1)23-10-5-11-24(18-23)26-15-13-20-7-2-4-9-22(20)17-26/h2,4-10,13-26,44H,1,3,11-12H2;1-18H.
What are the key properties of 2-(3-naphthalen-2-ylphenyl)naphthalene;N-(7,8,9,10-tetrahydrotriphenylen-2-yl)-9,9'-spirobi[fluorene]-2-amine?
2-(3-naphthalen-2-ylphenyl)naphthalene;N-(7,8,9,10-tetrahydrotriphenylen-2-yl)-9,9'-spirobi[fluorene]-2-amine has a molecular weight of 892.16 g/mol, XLogP of 18.17, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-naphthalen-2-ylphenyl)naphthalene;N-(7,8,9,10-tetrahydrotriphenylen-2-yl)-9,9'-spirobi[fluorene]-2-amine is sourced from PubChem (CID 145204079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).