N,N-bis(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-10-phenyl-7-(9-phenylfluoren-9-yl)acridin-2-amine

C70H56N2 — CID 167214648

IUPACN,N-bis(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-10-phenyl-7-(9-phenylfluoren-9-yl)acridin-2-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)-c3ccccc3C4(C)C)c3ccc4c(c3)C(C)(C)c3cc(C5(c6ccccc6)c6ccccc6-c6ccccc65)ccc3N4c3ccccc3)ccc21
InChIInChI=1S/C70H56N2/c1-67(2)57-29-17-13-27-53(57)55-42-48(34-37-59(55)67)71(49-35-38-60-56(43-49)54-28-14-18-30-58(54)68(60,3)4)50-36-40-66-64(44-50)69(5,6)63-41-46(33-39-65(63)72(66)47-23-11-8-12-24-47)70(45-21-9-7-10-22-45)61-31-19-15-25-51(61)52-26-16-20-32-62(52)70/h7-44H,1-6H3
InChIKeyFBRQWPKCUNLGJO-UHFFFAOYSA-N
MW925.23 g/mol
LogP18.24
Rot. Bonds6

About N,N-bis(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-10-phenyl-7-(9-phenylfluoren-9-yl)acridin-2-amine

N,N-bis(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-10-phenyl-7-(9-phenylfluoren-9-yl)acridin-2-amine (PubChem CID 167214648) has the molecular formula C70H56N2 and a molecular weight of 925.23 g/mol. Its IUPAC name is N,N-bis(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-10-phenyl-7-(9-phenylfluoren-9-yl)acridin-2-amine.

Molecular Properties

Compound NameN,N-bis(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-10-phenyl-7-(9-phenylfluoren-9-yl)acridin-2-amine
PubChem CID167214648
Molecular FormulaC70H56N2
Molecular Weight925.23 g/mol
Exact Mass924.44
IUPAC NameN,N-bis(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-10-phenyl-7-(9-phenylfluoren-9-yl)acridin-2-amine
SMILESCC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)-c3ccccc3C4(C)C)c3ccc4c(c3)C(C)(C)c3cc(C5(c6ccccc6)c6ccccc6-c6ccccc65)ccc3N4c3ccccc3)ccc21
InChIInChI=1S/C70H56N2/c1-67(2)57-29-17-13-27-53(57)55-42-48(34-37-59(55)67)71(49-35-38-60-56(43-49)54-28-14-18-30-58(54)68(60,3)4)50-36-40-66-64(44-50)69(5,6)63-41-46(33-39-65(63)72(66)47-23-11-8-12-24-47)70(45-21-9-7-10-22-45)61-31-19-15-25-51(61)52-26-16-20-32-62(52)70/h7-44H,1-6H3
InChIKeyFBRQWPKCUNLGJO-UHFFFAOYSA-N
XLogP18.24
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500925.23
LogP ≤ 518.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[9,9-dimethyl-2-(9-phenylfluoren-9-yl)acridin-10-yl]-N,N-diphenylaniline
CID 167214969
9,9-dimethyl-N-naphthalen-2-yl-10-phenyl-7-(9-phenylfluoren-9-yl)-N-(4-phenylphenyl)acridin-2-amine
CID 167214913
10,10-dimethyl-N,N,14-triphenylspiro[14-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15(20),16,18-nonaene-21,9'-fluorene]-18-amine
CID 166844469
N-[4-[9-(9,9-diphenylfluoren-2-yl)fluoren-9-yl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 118004652
10-(9,9-dimethyl-10-phenylacridin-2-yl)-10-phenylanthracen-9-one
CID 140898964
N-(9,9-dimethylfluoren-2-yl)-N,10-diphenylspiro[acridine-9,9'-fluorene]-2'-amine
CID 134309240
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N,10-diphenylacridin-3-amine
CID 121258957
N-(9,9-dimethylfluoren-2-yl)-7'-(1,13-diphenyl-13-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaen-4-yl)-N-phenyl-9,9'-spirobi[fluorene]-2'-amine
CID 168750612
9,9-diphenyl-N,N-bis[4-(9-phenylfluoren-9-yl)phenyl]fluoren-3-amine
CID 121464369
N,N-bis(9,9-diphenylfluoren-3-yl)-9,9-diphenylfluoren-3-amine
CID 121423738
9,9-dimethyl-10-phenyl-2,7-bis(9-pyridin-3-ylfluoren-9-yl)acridine
CID 140899053
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N,7,10-triphenylacridin-2-amine
CID 144559421

Frequently Asked Questions

What is the IUPAC name of N,N-bis(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-10-phenyl-7-(9-phenylfluoren-9-yl)acridin-2-amine?
The IUPAC name of N,N-bis(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-10-phenyl-7-(9-phenylfluoren-9-yl)acridin-2-amine (CID 167214648) is N,N-bis(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-10-phenyl-7-(9-phenylfluoren-9-yl)acridin-2-amine.
What is the SMILES notation for N,N-bis(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-10-phenyl-7-(9-phenylfluoren-9-yl)acridin-2-amine?
The canonical SMILES for N,N-bis(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-10-phenyl-7-(9-phenylfluoren-9-yl)acridin-2-amine is CC1(C)c2ccccc2-c2cc(N(c3ccc4c(c3)-c3ccccc3C4(C)C)c3ccc4c(c3)C(C)(C)c3cc(C5(c6ccccc6)c6ccccc6-c6ccccc65)ccc3N4c3ccccc3)ccc21.
What is the InChIKey of N,N-bis(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-10-phenyl-7-(9-phenylfluoren-9-yl)acridin-2-amine?
The InChIKey is FBRQWPKCUNLGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H56N2/c1-67(2)57-29-17-13-27-53(57)55-42-48(34-37-59(55)67)71(49-35-38-60-56(43-49)54-28-14-18-30-58(54)68(60,3)4)50-36-40-66-64(44-50)69(5,6)63-41-46(33-39-65(63)72(66)47-23-11-8-12-24-47)70(45-21-9-7-10-22-45)61-31-19-15-25-51(61)52-26-16-20-32-62(52)70/h7-44H,1-6H3.
What are the key properties of N,N-bis(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-10-phenyl-7-(9-phenylfluoren-9-yl)acridin-2-amine?
N,N-bis(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-10-phenyl-7-(9-phenylfluoren-9-yl)acridin-2-amine has a molecular weight of 925.23 g/mol, XLogP of 18.24, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(9,9-dimethylfluoren-3-yl)-9,9-dimethyl-10-phenyl-7-(9-phenylfluoren-9-yl)acridin-2-amine is sourced from PubChem (CID 167214648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).