N-(2-methylphenyl)-5'-phenyl-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine

C54H41N — CID 170538669

IUPACN-(2-methylphenyl)-5'-phenyl-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine
SMILESCc1ccccc1N(c1ccc(-c2cccc3c2CCCC3)cc1)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cccc(-c3ccccc3)c1-2
InChIInChI=1S/C54H41N/c1-36-15-5-12-28-52(36)55(40-31-29-39(30-32-40)43-23-13-19-37-18-6-7-20-42(37)43)41-33-34-47-51(35-41)54(48-25-10-8-21-45(48)46-22-9-11-26-49(46)54)50-27-14-24-44(53(47)50)38-16-3-2-4-17-38/h2-5,8-17,19,21-35H,6-7,18,20H2,1H3
InChIKeyQGONAJBXGDMFCT-UHFFFAOYSA-N
MW703.93 g/mol
LogP14.02
Rot. Bonds5

About N-(2-methylphenyl)-5'-phenyl-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine

N-(2-methylphenyl)-5'-phenyl-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine (PubChem CID 170538669) has the molecular formula C54H41N and a molecular weight of 703.93 g/mol. Its IUPAC name is N-(2-methylphenyl)-5'-phenyl-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine.

Molecular Properties

Compound NameN-(2-methylphenyl)-5'-phenyl-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine
PubChem CID170538669
Molecular FormulaC54H41N
Molecular Weight703.93 g/mol
Exact Mass703.32
IUPAC NameN-(2-methylphenyl)-5'-phenyl-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine
SMILESCc1ccccc1N(c1ccc(-c2cccc3c2CCCC3)cc1)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cccc(-c3ccccc3)c1-2
InChIInChI=1S/C54H41N/c1-36-15-5-12-28-52(36)55(40-31-29-39(30-32-40)43-23-13-19-37-18-6-7-20-42(37)43)41-33-34-47-51(35-41)54(48-25-10-8-21-45(48)46-22-9-11-26-49(46)54)50-27-14-24-44(53(47)50)38-16-3-2-4-17-38/h2-5,8-17,19,21-35H,6-7,18,20H2,1H3
InChIKeyQGONAJBXGDMFCT-UHFFFAOYSA-N
XLogP14.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500703.93
LogP ≤ 514.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-methylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2-amine
CID 170538695
5'-phenyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine
CID 170538703
5,9,9-triphenyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170538650
9,9-dimethyl-5-phenyl-N-(4-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170538816
9,9-dimethyl-N,5-diphenyl-N-[4-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]phenyl]fluoren-2-amine
CID 170538829
5,9,9-trimethyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170538808
9,9-dimethyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170538705
9,9-dimethyl-N-[4-(2-phenylphenyl)phenyl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170538841
9,9-dimethyl-5-phenyl-N-[3-(4-phenylphenyl)naphthalen-2-yl]-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]fluoren-2-amine
CID 170538744
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
9,9-dimethyl-N-naphthalen-2-yl-5-phenyl-N-[4-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]phenyl]fluoren-2-amine
CID 170538672
7,7-diphenyl-N-(2-phenylphenyl)-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]benzo[g]fluoren-9-amine
CID 170538642

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-5'-phenyl-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine?
The IUPAC name of N-(2-methylphenyl)-5'-phenyl-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine (CID 170538669) is N-(2-methylphenyl)-5'-phenyl-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine.
What is the SMILES notation for N-(2-methylphenyl)-5'-phenyl-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine?
The canonical SMILES for N-(2-methylphenyl)-5'-phenyl-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine is Cc1ccccc1N(c1ccc(-c2cccc3c2CCCC3)cc1)c1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cccc(-c3ccccc3)c1-2.
What is the InChIKey of N-(2-methylphenyl)-5'-phenyl-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine?
The InChIKey is QGONAJBXGDMFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H41N/c1-36-15-5-12-28-52(36)55(40-31-29-39(30-32-40)43-23-13-19-37-18-6-7-20-42(37)43)41-33-34-47-51(35-41)54(48-25-10-8-21-45(48)46-22-9-11-26-49(46)54)50-27-14-24-44(53(47)50)38-16-3-2-4-17-38/h2-5,8-17,19,21-35H,6-7,18,20H2,1H3.
What are the key properties of N-(2-methylphenyl)-5'-phenyl-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine?
N-(2-methylphenyl)-5'-phenyl-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine has a molecular weight of 703.93 g/mol, XLogP of 14.02, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-5'-phenyl-N-[4-(5,6,7,8-tetrahydronaphthalen-1-yl)phenyl]-9,9'-spirobi[fluorene]-2'-amine is sourced from PubChem (CID 170538669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).