N-[9-tert-butyl-9-[9-tert-butyl-2-[(9,9-dimethylfluoren-2-yl)-pyren-1-ylamino]fluoren-9-yl]fluoren-2-yl]-N-(9,9-dimethylfluoren-2-yl)pyren-1-amine

C96H76N2 — CID 134432412

IUPACN-[9-tert-butyl-9-[9-tert-butyl-2-[(9,9-dimethylfluoren-2-yl)-pyren-1-ylamino]fluoren-9-yl]fluoren-2-yl]-N-(9,9-dimethylfluoren-2-yl)pyren-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C(C)(C)C)(C3(C(C)(C)C)c5ccccc5-c5ccc(N(c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6ccc7ccc8cccc9ccc6c7c89)cc53)c3ccccc3-4)c3ccc4ccc5cccc6ccc3c4c56)cc21
InChIInChI=1S/C96H76N2/c1-91(2,3)95(79-31-17-13-27-69(79)73-49-43-65(55-83(73)95)97(63-41-47-71-67-25-11-15-29-77(67)93(7,8)81(71)53-63)85-51-39-61-35-33-57-21-19-23-59-37-45-75(85)89(61)87(57)59)96(92(4,5)6)80-32-18-14-28-70(80)74-50-44-66(56-84(74)96)98(64-42-48-72-68-26-12-16-30-78(68)94(9,10)82(72)54-64)86-52-40-62-36-34-58-22-20-24-60-38-46-76(86)90(62)88(58)60/h11-56H,1-10H3
InChIKeyBFZXZJLSRCKTDP-UHFFFAOYSA-N
MW1257.68 g/mol
LogP26.36
Rot. Bonds7

About N-[9-tert-butyl-9-[9-tert-butyl-2-[(9,9-dimethylfluoren-2-yl)-pyren-1-ylamino]fluoren-9-yl]fluoren-2-yl]-N-(9,9-dimethylfluoren-2-yl)pyren-1-amine

N-[9-tert-butyl-9-[9-tert-butyl-2-[(9,9-dimethylfluoren-2-yl)-pyren-1-ylamino]fluoren-9-yl]fluoren-2-yl]-N-(9,9-dimethylfluoren-2-yl)pyren-1-amine (PubChem CID 134432412) has the molecular formula C96H76N2 and a molecular weight of 1257.68 g/mol. Its IUPAC name is N-[9-tert-butyl-9-[9-tert-butyl-2-[(9,9-dimethylfluoren-2-yl)-pyren-1-ylamino]fluoren-9-yl]fluoren-2-yl]-N-(9,9-dimethylfluoren-2-yl)pyren-1-amine.

Molecular Properties

Compound NameN-[9-tert-butyl-9-[9-tert-butyl-2-[(9,9-dimethylfluoren-2-yl)-pyren-1-ylamino]fluoren-9-yl]fluoren-2-yl]-N-(9,9-dimethylfluoren-2-yl)pyren-1-amine
PubChem CID134432412
Molecular FormulaC96H76N2
Molecular Weight1257.68 g/mol
Exact Mass1256.60
IUPAC NameN-[9-tert-butyl-9-[9-tert-butyl-2-[(9,9-dimethylfluoren-2-yl)-pyren-1-ylamino]fluoren-9-yl]fluoren-2-yl]-N-(9,9-dimethylfluoren-2-yl)pyren-1-amine
SMILESCC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C(C)(C)C)(C3(C(C)(C)C)c5ccccc5-c5ccc(N(c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6ccc7ccc8cccc9ccc6c7c89)cc53)c3ccccc3-4)c3ccc4ccc5cccc6ccc3c4c56)cc21
InChIInChI=1S/C96H76N2/c1-91(2,3)95(79-31-17-13-27-69(79)73-49-43-65(55-83(73)95)97(63-41-47-71-67-25-11-15-29-77(67)93(7,8)81(71)53-63)85-51-39-61-35-33-57-21-19-23-59-37-45-75(85)89(61)87(57)59)96(92(4,5)6)80-32-18-14-28-70(80)74-50-44-66(56-84(74)96)98(64-42-48-72-68-26-12-16-30-78(68)94(9,10)82(72)54-64)86-52-40-62-36-34-58-22-20-24-60-38-46-76(86)90(62)88(58)60/h11-56H,1-10H3
InChIKeyBFZXZJLSRCKTDP-UHFFFAOYSA-N
XLogP26.36
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms98
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001257.68
LogP ≤ 526.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-[9-tert-butyl-9-[9-tert-butyl-2-[(9,9-dimethylfluoren-2-yl)-pyren-1-ylamino]fluoren-9-yl]fluoren-2-yl]-N-(9,9-dimethylfluoren-2-yl)pyren-1-amine with MolForge

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Related Compounds

N-(9,9-dimethylfluoren-2-yl)-N-[9-[2-[(9,9-dimethylfluoren-2-yl)-pyren-1-ylamino]-9-methylfluoren-9-yl]-9-methylfluoren-2-yl]pyren-1-amine
CID 134432413
N-(9,9-dimethylfluoren-2-yl)-9,9-dimethyl-N-naphthalen-1-ylfluoren-2-amine
CID 58983323
9,9-dimethyl-2-N,7-N-di(pyren-1-yl)-2-N,7-N-dipyridin-2-ylfluorene-2,7-diamine
CID 58883934
N-(9,9-dimethylfluoren-2-yl)-N-naphthalen-2-ylheptacyclo[12.10.2.26,9.02,7.08,13.018,26.021,25]octacosa-1(24),2,4,6,8,10,12,14(26),15,17,19,21(25),22,27-tetradecaen-19-amine
CID 167410938
N-(9,9-dimethylfluoren-2-yl)-7-[5-[(9,9-dimethylfluoren-2-yl)-pyren-1-ylamino]-7-phenylbenzo[c]fluoren-7-yl]-7-phenyl-N-pyren-1-ylbenzo[c]fluoren-5-amine
CID 134432721
N,N-bis(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-9-phenylbenzo[a]phenalen-1-amine
CID 167232083
N-(4-tert-butylphenyl)-N-[4-[7-[4-(4-tert-butyl-N-pyren-1-ylanilino)phenyl]-9,9-dimethylfluoren-2-yl]phenyl]pyren-1-amine
CID 58905963
17-tert-butyl-N,N-bis(9,9-dimethylfluoren-2-yl)-9,9-dimethylhexacyclo[13.6.2.02,10.03,8.012,22.019,23]tricosa-1(22),2(10),3(8),4,6,11,13,15,17,19(23),20-undecaen-6-amine
CID 58402179
N-(9,9-dimethylfluoren-2-yl)-7,7-dimethyl-N-(4-naphthalen-1-ylphenyl)benzo[a]phenalen-1-amine
CID 167232336
2-N,6-N-diphenyl-9,10-di(pyren-1-yl)-2-N,6-N-bis(6,6,12,12-tetramethylindeno[1,2-b]fluoren-2-yl)anthracene-2,6-diamine
CID 88869077
N-dibenzofuran-4-yl-N-pyren-1-yldibenzofuran-4-amine;N-(9,9-dimethylfluoren-2-yl)-N-pyren-1-yldibenzofuran-4-amine;N-naphthalen-1-yl-N-pyren-1-yldibenzofuran-4-amine;N-naphthalen-2-yl-N-pyren-1-yldibenzofuran-4-amine
CID 159006380
9,9-dimethyl-N-[2-(5-pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3(8),4,6,9,12,15,17,19,21-undecaenyl)phenyl]-N-(2-phenylphenyl)fluoren-2-amine
CID 177100506

Frequently Asked Questions

What is the IUPAC name of N-[9-tert-butyl-9-[9-tert-butyl-2-[(9,9-dimethylfluoren-2-yl)-pyren-1-ylamino]fluoren-9-yl]fluoren-2-yl]-N-(9,9-dimethylfluoren-2-yl)pyren-1-amine?
The IUPAC name of N-[9-tert-butyl-9-[9-tert-butyl-2-[(9,9-dimethylfluoren-2-yl)-pyren-1-ylamino]fluoren-9-yl]fluoren-2-yl]-N-(9,9-dimethylfluoren-2-yl)pyren-1-amine (CID 134432412) is N-[9-tert-butyl-9-[9-tert-butyl-2-[(9,9-dimethylfluoren-2-yl)-pyren-1-ylamino]fluoren-9-yl]fluoren-2-yl]-N-(9,9-dimethylfluoren-2-yl)pyren-1-amine.
What is the SMILES notation for N-[9-tert-butyl-9-[9-tert-butyl-2-[(9,9-dimethylfluoren-2-yl)-pyren-1-ylamino]fluoren-9-yl]fluoren-2-yl]-N-(9,9-dimethylfluoren-2-yl)pyren-1-amine?
The canonical SMILES for N-[9-tert-butyl-9-[9-tert-butyl-2-[(9,9-dimethylfluoren-2-yl)-pyren-1-ylamino]fluoren-9-yl]fluoren-2-yl]-N-(9,9-dimethylfluoren-2-yl)pyren-1-amine is CC1(C)c2ccccc2-c2ccc(N(c3ccc4c(c3)C(C(C)(C)C)(C3(C(C)(C)C)c5ccccc5-c5ccc(N(c6ccc7c(c6)C(C)(C)c6ccccc6-7)c6ccc7ccc8cccc9ccc6c7c89)cc53)c3ccccc3-4)c3ccc4ccc5cccc6ccc3c4c56)cc21.
What is the InChIKey of N-[9-tert-butyl-9-[9-tert-butyl-2-[(9,9-dimethylfluoren-2-yl)-pyren-1-ylamino]fluoren-9-yl]fluoren-2-yl]-N-(9,9-dimethylfluoren-2-yl)pyren-1-amine?
The InChIKey is BFZXZJLSRCKTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C96H76N2/c1-91(2,3)95(79-31-17-13-27-69(79)73-49-43-65(55-83(73)95)97(63-41-47-71-67-25-11-15-29-77(67)93(7,8)81(71)53-63)85-51-39-61-35-33-57-21-19-23-59-37-45-75(85)89(61)87(57)59)96(92(4,5)6)80-32-18-14-28-70(80)74-50-44-66(56-84(74)96)98(64-42-48-72-68-26-12-16-30-78(68)94(9,10)82(72)54-64)86-52-40-62-36-34-58-22-20-24-60-38-46-76(86)90(62)88(58)60/h11-56H,1-10H3.
What are the key properties of N-[9-tert-butyl-9-[9-tert-butyl-2-[(9,9-dimethylfluoren-2-yl)-pyren-1-ylamino]fluoren-9-yl]fluoren-2-yl]-N-(9,9-dimethylfluoren-2-yl)pyren-1-amine?
N-[9-tert-butyl-9-[9-tert-butyl-2-[(9,9-dimethylfluoren-2-yl)-pyren-1-ylamino]fluoren-9-yl]fluoren-2-yl]-N-(9,9-dimethylfluoren-2-yl)pyren-1-amine has a molecular weight of 1257.68 g/mol, XLogP of 26.36, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[9-tert-butyl-9-[9-tert-butyl-2-[(9,9-dimethylfluoren-2-yl)-pyren-1-ylamino]fluoren-9-yl]fluoren-2-yl]-N-(9,9-dimethylfluoren-2-yl)pyren-1-amine is sourced from PubChem (CID 134432412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).